Basic information
- Standard SMILES
N#CC1CC2CC1CC2C=O- InChIKey
ADBHRKSAERMERV-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 2-Cyano-5-formyl bicyclo[2.2.1]heptane
- IUPAC
- 5-formylbicyclo[2.2.1]heptane-2-carbonitrile
Names & synonyms
SCHEMBL2914585ADBHRKSAERMERV-UHFFFAOYSA-N84898-04-42-Cyano-5-formyl bicyclo[2.2.1]heptaneDB-286106Bicyclo[2.2.1]heptane-2-carbonitrile, 5-formyl-
Database identifiers
- PubChem CID
- 21192030
- Nikkaji
- J3.209.599B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Related reactions
2 records
Compound notes
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