endo-2-Cyanobicyclo[2.2.1]heptane
Basic information
- CAS
3211-87-8- Standard SMILES
N#C[C@@H]1CC2CCC1C2- InChIKey
GAHKEUUHTHVKEA-RRQHEKLDSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- endo-2-Cyanobicyclo[2.2.1]heptane
- IUPAC
- (2R)-bicyclo[2.2.1]heptane-2-carbonitrile
Names & synonyms
endo-2-Cyanobicyclo[2.2.1]heptane3211-87-8NSC46412Bicyclo[2.2.1]heptane-2-carbonitrile, endo-SCHEMBL14448195NSC-46412
Database identifiers
- CAS
3211-87-8- PubChem CID
- 240301
- Nikkaji
- J3.695.656I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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