Basic information
- Standard SMILES
CCCc1cc2c(C#N)c(C#N)ccc2[nH]1- InChIKey
IIPCHYGCZIEXJL-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 2-propyl-1H-indole-4,5-dicarbonitrile
- IUPAC
- 2-propyl-1H-indole-4,5-dicarbonitrile
Names & synonyms
SCHEMBL2430381IIPCHYGCZIEXJL-UHFFFAOYSA-N2-propyl-1H-indole-4,5-dicarbonitrile
Database identifiers
- PubChem CID
- 57800367
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
12 records
Compound notes
Loading…