diethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2,5-dicarboxylate

HCID 326311

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Basic information

CAS: 84990-25-0
Standard SMILES: CCOC(=O)c1c(C)c2c(n1C)CCC(C(=O)OCC)C2=O
InChIKey: JJKMUUTZCNPDAE-UHFFFAOYSA-N
Molecular formula: C16H21NO5
Average molar mass: 307.34 g/mol
Monoisotopic mass: 307.14197277

Names & identifiers

Preferred name: diethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2,5-dicarboxylate
IUPAC: diethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2,5-dicarboxylate

Names & synonyms

84990-25-0Diethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylatediethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2,5-dicarboxylateNSC297351DTXSID30315795NSC-297351

Database identifiers

CAS: 84990-25-0
PubChem CID: 326311
DTXSID: DTXSID30315795

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 463

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