(2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile

HCID 253307

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Basic information

CAS: 2890-96-2
Standard SMILES: N#C[C@H]1CC2C=CC1C2
InChIKey: BMAXQTDMWYDIJX-KAVNDROISA-N
Molecular formula: C8H9N
Average molar mass: 119.16 g/mol
Monoisotopic mass: 119.07349929

Names & identifiers

Preferred name: (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
IUPAC: (2S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile

Names & synonyms

(2s)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile2890-96-2Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,(1R,2S,4R)-rel-SCHEMBL4968794BMAXQTDMWYDIJX-KAVNDROISA-NNSC76083NSC-76083AKOS005366836EN300-91196(6S)-BICYCLO[2.2.1]HEPT-2-ENE-6-CARBONITRILE

Database identifiers

CAS: 2890-96-2
PubChem CID: 253307

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 196

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