Basic information
- CAS
14493-06-2- Standard SMILES
N#C[C@@H]1C2C=CC(CC2)[C@H]1C#N- InChIKey
XNFWRFPWBZBKIW-YDYPAMBWSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]oct-5-ene-2, trans-
- IUPAC
- (2R,3R)-bicyclo[2.2.2]oct-5-ene-2,3-dicarbonitrile
Names & synonyms
NSC-29203NSC29203Bicyclo[2.2.2]oct-5-ene-2, trans-Bicyclo[2.2.2]oct-5-ene-2, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-
Database identifiers
- CAS
14493-06-2- PubChem CID
- 232149
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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