Indol-4(5H)-one, 3-acetyl-6,7-dihydro-

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Basic information

CAS: 22056-54-8
Standard SMILES: CC(=O)c1c[nH]c2c1C(=O)CCC2
InChIKey: DJVGTOGEQZBUAS-UHFFFAOYSA-N
Molecular formula: C10H11NO2
Average molar mass: 177.2 g/mol
Monoisotopic mass: 177.07897859

Names & identifiers

Preferred name: Indol-4(5H)-one, 3-acetyl-6,7-dihydro-
IUPAC: 3-acetyl-1,5,6,7-tetrahydroindol-4-one

Names & synonyms

3-Acetyl-6,7-dihydro-indol-4(5H)-oneINDOL-4(5H)-ONE, 3-ACETYL-6,7-DIHYDRO-4,5,6,7-Tetrahydro-3-methyl-4-oxoindole22056-54-8DTXSID60176538RefChem:349117DTXCID00990293-acetyl-1,5,6,7-tetrahydro-4H-indol-4-one

Database identifiers

CAS: 22056-54-8
PubChem CID: 30925
DTXSID: DTXSID60176538

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 249

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Compound notes

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