3-Bicyclo(2.2.1)hept-2-ylidenebutyronitrile
Basic information
- CAS
72928-05-3- Standard SMILES
C/C(CC#N)=C1/CC2CCC1C2- InChIKey
LCCCGWWVPRIPBC-DHZHZOJOSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- 3-Bicyclo(2.2.1)hept-2-ylidenebutyronitrile
- IUPAC
- (3E)-3-(2-bicyclo[2.2.1]heptanylidene)butanenitrile
Names & synonyms
EINECS 277-047-03-Bicyclo(2.2.1)hept-2-ylidenebutyronitrile3-(Bicyclo(2.2.1)hept-2-ylidene)butanenitrile
Database identifiers
- CAS
72928-05-3- PubChem CID
- 3037293
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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