Can I Draw an Organic Compound and Get the Name

Demos > IUPAC Naming

Use this tool to either convert drawn chemical structures into IUPAC names or to create the chemical structure from the written IUPAC name. Please read the instructions below each input. The number of free calls to this function is limited. For unlimited IUPAC naming with dozens of options, please consider purchasing ChemDoodle 2D, or getting your institution to obtain a site license for ChemDoodle so you can have free access.

• Structure to Name

• Name to Structure

  
  

  

  Instructions

  Greek Characters
  Greek characters may be specified by:

  1. The appropriate Unicode character e.g. &lambda
  2. The romanised name for the letter e.g. lambda
  3. The romanised name for the letter surrounded by dots e.g. .lambda.
  4. The corresponding modern letter prefixed with a dollar e.g. $l

  Super scripts
  Super scripts may be specified by:

  1. A carat with bracketing e.g. N^(2)
  2. A carat e.g. N^2
  3. Bracketing e.g. N(2)
  4. Using tildes e.g. N~2~
  5. Using stars e.g. N*2*
  6. Using angle brackets e.g. N<2>

  Note that for locants, the algorithm will be able to disambiguate that N2 means N^2 and for von Baeyer systems the algorithm will intelligently guess what should have been superscripted.

  For spiro systems, indication of superscripts is required.

  Example IUPAC Names

  Click to load into the above text area.

  1. Pentane
  2. Butanal
  3. Benzene
  4. Bis(2-naphthyl)methane
  5. 2,3-Xylenol
  6. Pentacyclo[13.7.4.33,8.018,20.113,28]triacontane

  Powered by OPSIN, which is available in ChemDoodle 2D.

Methane

IUPAC naming is in ChemDoodle 2D with dozens of options!: Control over "Method A" for functional groups Forcing functional groups as substitutents Disabling functional group base nuclei Toggling "per" nomenclature Display of implied locants Locant positioning Disabling trivial names Various trivial naming options Toggling ortho/meta/para Control over the choice of base nucleus Control over the Hantzsch-Widman system Toggling stereochemistry Toggling "bis" nomenclature Text formatting and more...!

Instructions

IUPAC names can be generated for drawn structures in the sketcher. The name is displayed in large font above the sketcher as you doodle. Please give it a try and let us know if you encounter any issues. A comparison table for IUPAC naming against two of our competitors is provided below. You can click on any of the images of the molecules to load them into the sketcher for further evaluation.

	ChemDoodle ®	Competitor #1	Competitor #2
	Bis(2-naphthyl)methane	dinaphthalen-2-ylmethane	2-(naphthalen-2-ylmethyl)naphthalene
	2(10),3-Pinadiene	6,6-dimethyl-4-methylenebicyclo[3.1.1]hept-2-ene	6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
	2,4-Dihydro-1,3-benzodithiin	4H-benzo[d][1,3]dithiine	2,4-dihydro-1,3-benzodithiine
	3,6,8-Trioxabicyclo[3.2.2]nonane	3,6,8-trioxabicyclo[3.2.2]nonane	3,6,8-trioxabicyclo[3.2.2]nonane
	2,3-Xylenol	2,3-dimethylphenol	2,3-dimethylphenol
	1-[p-(3-Hydroxypropyl)phenyl]-1,2-ethanediol	1-(4-(3-hydroxypropyl)phenyl)ethane-1,2-diol	1-[4-(3-hydroxypropyl)phenyl]ethane-1,2-diol
	Perfluoro(1-methylperhydronaphthalene)	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)decahydronaphthalene	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
	4-(Isopropylidenehydrazono)-2,5-cyclohexadiene-1-carboxylic acid	4-(propan-2-ylidenehydrazono)cyclohexa-2,5-dienecarboxylic acid	4-[2-(propan-2-ylidene)hydrazin-1- ylidene]cyclohexa-2,5-diene-1-carboxylic acid
	1-Ethylidene-5-(2-naphthyl)carbonohydrazide	Unable to name.	3-(ethylideneamino)-1-(naphthalen-2-ylamino)urea
	(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
	Pentacyclo[13.7.4.33,8.018,20.113,28]triacontane	Unable to name.	pentacyclo[13.7.4.3³,⁸.0¹⁸,²⁰.1¹³,²⁸]triacontane
	5λ6-Thiatrispiro[2.1.1.27.15.25.23]tetradecane	Unable to name.	5λ⁶‐thiatrispiro[2.1.1.2⁷.1⁵.2⁵.2³]tetradecane
	Trispiro[cyclopentane-1,5'-[1λ4,4]dithiane-2',2''-indan-1',1'''-thiophene]	Unable to name.	1'',3''‐dihydro‐1'λ⁴‐trispiro[cyclopentane‐1,5'‐[1,4]dithiane‐2',2''‐indene‐1',1'''‐thiophene]
	Tetrastannoxane	tetrastannoxane	tetrastannoxane
	2-Boryltriborane(5)	Unable to name.	triborylborane
	Butyl	Unable to name.	monobutyl
	2,4-Quinolediyl	Unable to name.	Unable to name.
	Tetramethylammonium	tetramethylammonium	tetramethylazanium
	1,4-Dihydro-1,4-naphthalenediide	1,4-dihydronaphthalene-1,4-diide	1,4‐dihydronaphthalene‐1,4‐diide
	(Trimethylammonio)acetate	2-(trimethylammonio)acetate	2‐(trimethylazaniumyl)acetate

References

1. Nomenclature of Organic Chemistry: Sections A, B, C, 3rd ed.; Butterworths: London, 1971.
2. Rigaudy, J.; Klesney, S. P. Nomenclature of Organic Chemistry: Sections A, B, C, D, E, F and H, 4th ed.; Pergamon Press: Oxford, 1979.
3. Moss, G. P. Revision of the Extended Hantzsch-Widman System of Nomenclature for Heteromonocycles (Recommendations 1982). Pure Appl. Chem. 1983, 55, 409-416.
4. Powell, W. H. Treatment of Variable Valence in Organic Nomenclature (Lambda Convention) (Recommendations 1983). Pure Appl. Chem. 1984, 56, 769-778.
5. Panico, R.; Powell, W. H.; Richer, J. Nomenclature of Organic Chemistry: Recommendatios 1993; Blackwell Scientific Publications: Oxford, 1993.
6. Moss, G. P. Nomenclature of Fused and Bridged Fused Ring Systems (IUPAC Recommendations 1998). Pure Appl. Chem. 1998, 70, 143-216.
7. Favre, H. A.; Hellwich, K.; Moss, G. P.; Powell, W. H.; Traynham, J. G. Corrections to A Guide to IUPAC Nomenclature of Organic Compounds (IUPAC Recommendations 1993). Pure Appl. Chem. 1999, 71, 1327-1330.
8. Moss, G. P. Extension and Revision of the von Baeyer System for Naming Polycyclic Compounds (Including Bicyclic Compounds) (IUPAC Recommendations 1999). Pure Appl. Chem. 1999, 71, 513-529.
9. Moss, G. P. Extension and Revision of the Nomenclature for Spiro Compounds (Including Bicyclic Compounds) (IUPAC Recommendations 1999). Pure Appl. Chem. 1999, 71, 531-558.
10. Preferred names in the nomenclature of organic compounds: Draft 7 October 2004; IUPAC, 2004.
11. Connelly, N. G.; Damhus, T.; Hartshorn, R. M.; Hutton, A. T. Nomenclature of Inorganic Chemistry: IUPAC Recommendations 2005; RSC Publishing: Norfolk, UK, 2005.
12. Favre, H. A.; Powell, W. H. Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013; Royal Society of Chemistry: Cambridge, 2014.

Can I Draw an Organic Compound and Get the Name

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