Basic information
- Standard SMILES
Cc1cn(C(C)C)c2cc(C#N)cc(C(=O)O)c12- InChIKey
FZRWPLSGAITXCG-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 6-cyano-3-methyl-1-(1-methylethyl)-1H-indole-4-carboxylic acid
- IUPAC
- 6-cyano-3-methyl-1-propan-2-ylindole-4-carboxylic acid
Names & synonyms
SCHEMBL2593822FZRWPLSGAITXCG-UHFFFAOYSA-N1346576-53-1DB-4150136-cyano-1-isopropyl-3-methyl-1H-indole-4-carboxylic acid6-cyano-3-methyl-1-(1-methylethyl)-1H-indole-4-carboxylic acid
Database identifiers
- PubChem CID
- 67468089
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
7 records
Compound notes
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