Basic information
- Standard SMILES
N#CC1C=CC2=C(CCCCC2)C1=O- InChIKey
NJCNNUKAHPAJKR-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- 2-Cyanobenzocycloheptan-1-one
- IUPAC
- 4-oxo-3,5,6,7,8,9-hexahydrobenzo[7]annulene-3-carbonitrile
Names & synonyms
2-cyanobenzocycloheptan-1-oneSCHEMBL7987304NJCNNUKAHPAJKR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21703316
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
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