ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

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Basic information

CAS: 84990-20-5
Standard SMILES: CCOC(=O)c1c(C)c2c(n1C)CCC(C#N)C2=O
InChIKey: RQCQGQBBOKCJIK-UHFFFAOYSA-N
Molecular formula: C14H16N2O3
Average molar mass: 260.29 g/mol
Monoisotopic mass: 260.11609238

Names & identifiers

Preferred name: ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
IUPAC: ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

Names & synonyms

84990-20-5NSC196849ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylateDTXSID80307928NSC-196849DS-002936ethyl 5-cyano-1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate1H-INDOLE-2-CARBOXYLICACID, 5-CYANO-4,5,6,7-TETRAHYDRO-1,3-DIMETHYL-4-OXO-, ETHYL ESTER

Database identifiers

CAS: 84990-20-5
PubChem CID: 304519
DTXSID: DTXSID80307928

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 439

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Compound notes

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