Basic information
- Standard SMILES
O=C1C(=Cc2ccccc2Cl)N2CCC1CC2- InChIKey
WNICXJVIQXXISD-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
- IUPAC
- 2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
SCHEMBL8801334WNICXJVIQXXISD-UHFFFAOYSA-N2-(2-chlorobenzylidene)-3-oxoquinuclidine2-(2-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
Database identifiers
- PubChem CID
- 297405
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 344
Related reactions
4 records
Compound notes
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