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Basic information
- Standard SMILES
CC=C(C#N)c1cccnc1- InChIKey
UUYAIAYTXHKOBZ-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
Names & identifiers
- Preferred name
- alpha-Ethylidene 3-pyridineacetonitrile
- IUPAC
- 2-pyridin-3-ylbut-2-enenitrile
Names & synonyms
SCHEMBL10958255UUYAIAYTXHKOBZ-UHFFFAOYSA-Nalpha-ethylidene 3-pyridineacetonitrilealpha-ethylidene 3-pyridine acetonitrile
Database identifiers
- PubChem CID
- 54373598
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Related reactions
3 records
Compound notes
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