3-acetyl-2-methyl-1H-indole-5-carbonitrile
Basic information
- Standard SMILES
CC(=O)c1c(C)[nH]c2ccc(C#N)cc12- InChIKey
YLLLIJBOQKKUBM-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- 3-acetyl-2-methyl-1H-indole-5-carbonitrile
- IUPAC
- 3-acetyl-2-methyl-1H-indole-5-carbonitrile
Names & synonyms
SCHEMBL2161332YLLLIJBOQKKUBM-UHFFFAOYSA-N3-acetyl-2-methyl-1H-indole-5-carbonitrile
Database identifiers
- PubChem CID
- 67300366
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
2 records
Compound notes
Loading…