Basic information
- Standard SMILES
CC(O)(C#N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
FZUDLGOZOWJAJT-WHPCQORBSA-N- Molecular formula
- C22H31NO2
- Average molar mass
- 341.5 g/mol
Names & identifiers
- Preferred name
- 20-Cyano-20-hydroxy-4-pregnene-3-one
- IUPAC
- 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropanenitrile
Names & synonyms
SCHEMBL9478260FZUDLGOZOWJAJT-WHPCQORBSA-N20-cyano-20-hydroxy-4-pregnene-3-one
Database identifiers
- PubChem CID
- 57016276
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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