Basic information
- Standard SMILES
O=C1C(=Cc2ccccc2)N2CCC1C2- InChIKey
MFGNQJGKPAWWDO-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 2-(Phenylmethylene)-1-azabicyclo[2.2.1]heptan-3-one
- IUPAC
- 2-benzylidene-1-azabicyclo[2.2.1]heptan-3-one
Names & synonyms
SCHEMBL5082412MFGNQJGKPAWWDO-UHFFFAOYSA-N2-(Phenylmethylene)-1-azabicyclo[2.2.1 ]heptan-3-one2-(Phenylmethylene)-1-azabicyclo[2.2.1]heptan-3-one
Database identifiers
- PubChem CID
- 54069324
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Related reactions
8 records
Compound notes
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