(4S,9aR)-4-Phenyloctahydro-2H-quinolizin-2-one
Basic information
- CAS
63459-11-0- Standard SMILES
O=C1C[C@H]2CCCCN2[C@H](c2ccccc2)C1- InChIKey
GVLOLVDJXPJOEA-HIFRSBDPSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- (4S,9aR)-4-Phenyloctahydro-2H-quinolizin-2-one
- IUPAC
- (4S,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
Names & synonyms
63459-11-0(4S,9aR)-4-Phenyloctahydro-2H-quinolizin-2-oneDTXSID20546576
Database identifiers
- CAS
63459-11-0- PubChem CID
- 13680919
- DTXSID
DTXSID20546576
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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