Basic information
- Standard SMILES
CCCCCCOc1ccc(C=C(C#N)c2cccnc2)cc1- InChIKey
LPKJFMJAAWKVML-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- alpha-[[4-(Hexyloxy)phenyl]methylene]-3-pyridylacetonitrile
- IUPAC
- 3-(4-hexoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
Names & synonyms
SCHEMBL9735429LPKJFMJAAWKVML-UHFFFAOYSA-Nalpha-[[4-(hexyloxy)phenyl]methylene]-3-pyridylacetonitrile
Database identifiers
- PubChem CID
- 67916979
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Compound notes
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