Basic information
- Standard SMILES
CN(C)C=C(C#N)C(=O)c1c[nH]c2ccccc12- InChIKey
MVQNRLYQOQCWJJ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
Names & identifiers
- Preferred name
- 1-Indol-3-yl-2-cyano-3-dimethylaminopropen-1-one
- IUPAC
- 3-(dimethylamino)-2-(1H-indole-3-carbonyl)prop-2-enenitrile
Names & synonyms
SCHEMBL2880874MVQNRLYQOQCWJJ-UHFFFAOYSA-N1-indol-3-yl-2-cyano-3-dimethylaminopropen-1-one
Database identifiers
- PubChem CID
- 54093744
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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