Basic information
- CAS
3964-74-7- Standard SMILES
O=C1c2ccccc2CCc2ccncc21- InChIKey
PSHZPPBCBVTVAC-UHFFFAOYSA-N- Molecular formula
- C14H11NO
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.08406397
Names & identifiers
- Preferred name
- 5,6-Dihydro-11H-benzo(5,6)cyclohepta(1,2-c)pyridin-11-one
- IUPAC
- 5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
- English name
- 5,6-Dihydro-11H-benzo[5,6]cyclohepta[1,2-c]pyridin-11-one
- Molecular weight
- 0
Names & synonyms
3964-74-75,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-c]pyridin-11-one11H-Benzo(5,6)cyclohepta(1,2-c)pyridin-11-one, 5,6-dihydro-DTXSID801927505,6-Dihydro-11H-benzo(5,6)cyclohepta(1,2-c)pyridin-11-oneRefChem:1072186DTXCID20115241BRN 15300015,6-Dihydro-11H-benzo(5,6)cyclohepta(1,2-c)pyrid-11-oneSCHEMBL4053483
Database identifiers
- CAS
3964-74-7- PubChem CID
- 77582
- DTXSID
DTXSID80192750- Nikkaji
- J69.285I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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