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.
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Structure to Name
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Name to Structure
Instructions
Greek Characters
Greek characters may be specified by:- The appropriate Unicode character e.g. &lambda
- The romanised name for the letter e.g. lambda
- The romanised name for the letter surrounded by dots e.g. .lambda.
- The corresponding modern letter prefixed with a dollar e.g. $l
Super scripts
Super scripts may be specified by:- A carat with bracketing e.g. N^(2)
- A carat e.g. N^2
- Bracketing e.g. N(2)
- Using tildes e.g. N~2~
- Using stars e.g. N*2*
- 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.
- Pentane
- Butanal
- Benzene
- Bis(2-naphthyl)methane
- 2,3-Xylenol
- Pentacyclo[13.7.4.33,8.018,20.113,28]triacontane
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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
- Nomenclature of Organic Chemistry: Sections A, B, C, 3rd ed.; Butterworths: London, 1971.
- Rigaudy, J.; Klesney, S. P. Nomenclature of Organic Chemistry: Sections A, B, C, D, E, F and H, 4th ed.; Pergamon Press: Oxford, 1979.
- Moss, G. P. Revision of the Extended Hantzsch-Widman System of Nomenclature for Heteromonocycles (Recommendations 1982). Pure Appl. Chem. 1983, 55, 409-416.
- Powell, W. H. Treatment of Variable Valence in Organic Nomenclature (Lambda Convention) (Recommendations 1983). Pure Appl. Chem. 1984, 56, 769-778.
- Panico, R.; Powell, W. H.; Richer, J. Nomenclature of Organic Chemistry: Recommendatios 1993; Blackwell Scientific Publications: Oxford, 1993.
- Moss, G. P. Nomenclature of Fused and Bridged Fused Ring Systems (IUPAC Recommendations 1998). Pure Appl. Chem. 1998, 70, 143-216.
- 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.
- 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.
- 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.
- Preferred names in the nomenclature of organic compounds: Draft 7 October 2004; IUPAC, 2004.
- Connelly, N. G.; Damhus, T.; Hartshorn, R. M.; Hutton, A. T. Nomenclature of Inorganic Chemistry: IUPAC Recommendations 2005; RSC Publishing: Norfolk, UK, 2005.
- 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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