Basic information
- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C#N- InChIKey
JYCSLUASXDFIEL-UHFFFAOYSA-N- Molecular formula
- C20H27NO2
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
- IUPAC
- 17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
Names & synonyms
17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrilePreg-4-en-3-one, 17alpha-hydroxy-17beta-cyano-Preg-4-en-3-one, 17.alpha.-hydroxy-17.beta.-cyano-JYCSLUASXDFIEL-UHFFFAOYSA-NAKOS025247966VS-1219917-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile #17Alpha-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carbonitrileEINECS 278-780-9, (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile, 77881-13-1
Database identifiers
- PubChem CID
- 534560
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 643
Related reactions
2 records
Compound notes
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