Basic information
- Standard SMILES
COc1ccc2c(c1)cc(/C=C/c1ccccc1Cl)n2CCC#N- InChIKey
SARXIMVOSNDODW-BQYQJAHWSA-N- Molecular formula
- C20H17ClN2O
- Average molar mass
- 336.8 g/mol
Names & identifiers
- Preferred name
- 3-{2-[(E)-2-(2-Chlorophenyl)ethenyl]-5-methoxy-1H-indol-1-yl}propanenitrile
- IUPAC
- 3-[2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methoxyindol-1-yl]propanenitrile
Names & synonyms
SARXIMVOSNDODW-BQYQJAHWSA-N3-{2-[(E)-2-(2-Chlorophenyl)ethenyl]-5-methoxy-1H-indol-1-yl}propanenitrile
Database identifiers
- PubChem CID
- 21980795
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
2 records
Compound notes
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