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Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(C#N)c(OC)cc2[nH]1- InChIKey
PUGVJEYKNBTJFT-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
Names & identifiers
- Preferred name
- ethyl 5-cyano-6-methoxy-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-cyano-6-methoxy-1H-indole-2-carboxylate
Names & synonyms
ethyl 5-cyano-6-methoxy-1H-indole-2-carboxylate1229608-58-5SCHEMBL2420047PUGVJEYKNBTJFT-UHFFFAOYSA-NDA-13997
Database identifiers
- PubChem CID
- 67401331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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