8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)octa-3-en-2-one
Basic information
- Standard SMILES
O=C1C=CC2c3ccccc3C1N2c1ccccc1- InChIKey
HBVLHVPIKRRHKB-UHFFFAOYSA-N- Molecular formula
- C17H13NO
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.09971404
Names & identifiers
- Preferred name
- 8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)octa-3-en-2-one
- IUPAC
- 12-phenyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6,10-tetraen-9-one
Names & synonyms
8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)octa-3-en-2-oneDTXSID401356404AG-777/093060018-AZA-8-PHENYL-6,7-BENZO-BICYCLO(3,2,1)-3-EN-2-ONE12-phenyl-12-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6,10-tetraen-9-one
Database identifiers
- PubChem CID
- 3719005
- DTXSID
DTXSID401356404- Nikkaji
- J261.176G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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