4-Oxobicyclo[3.2.1]oct-2-ene-2-carbonitrile
Basic information
- CAS
391248-25-2- Standard SMILES
N#CC1=CC(=O)C2CCC1C2- InChIKey
PNMFMWXCNUBQEC-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 4-Oxobicyclo[3.2.1]oct-2-ene-2-carbonitrile
- IUPAC
- 4-oxobicyclo[3.2.1]oct-2-ene-2-carbonitrile
Names & synonyms
4-oxobicyclo[3.2.1]oct-2-ene-2-carbonitrileSCHEMBL6908847DTXSID001263493391248-25-2
Database identifiers
- CAS
391248-25-2- PubChem CID
- 22644151
- DTXSID
DTXSID001263493
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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