ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

HCID 2997481

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Basic information

CAS: 27463-52-1
Standard SMILES: CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIKey: LAYLXGGTNSMQEK-UHFFFAOYSA-N
Molecular formula: C16H17NO4
Average molar mass: 287.31 g/mol
Monoisotopic mass: 287.11575802

Names & identifiers

Preferred name: ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
IUPAC: ethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
English name: Ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Molecular formula: C16H17NO4
Molecular weight: 287.31

Names & synonyms

27463-52-1ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylateethyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylateMFCD06752730ethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylateMLS000116528SMR0000934981H-indole-2-carboxylic acid, 6-(2-furanyl)-4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl esterSCHEMBL2014912CHEMBL1424468BDBM40098cid_2997481

Show more names

DTXSID201139014HMS2264E22ALBB-021922STK405860AKOS000662480AKOS017259109CCG-128429SB61613

Database identifiers

CAS: 27463-52-1
PubChem CID: 2997481
DTXSID: DTXSID201139014
ChEMBL: CHEMBL1424468

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 425

Chemistry & industry

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常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

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