10-Azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-16-one
Basic information
- CAS
3256-90-4- Standard SMILES
O=C1CC2c3ccccc3CCN2C2=C1CCC2- InChIKey
WQRMZIBMSVMMID-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Names & identifiers
- Preferred name
- 10-Azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-16-one
- IUPAC
- 10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-16-one
Names & synonyms
NSC3518923256-90-4NSC 351892DTXSID20319929NSC-3518922,3,5,6,10b,11-Hexahydrocyclopenta[5,6]pyrido[2,1-a]isoquinolin-12(1H)-one
Database identifiers
- CAS
3256-90-4- PubChem CID
- 336745
- DTXSID
DTXSID20319929
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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