1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one

HCID 280271

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Basic information

CAS: 13671-74-4
Standard SMILES: O=C1CCCc2c1ccn2Cc1ccccc1
InChIKey: XQFYFKMPBWSFOP-UHFFFAOYSA-N
Molecular formula: C15H15NO
Average molar mass: 225.28 g/mol
Monoisotopic mass: 225.1153641

Names & identifiers

Preferred name: 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one
IUPAC: 1-benzyl-6,7-dihydro-5H-indol-4-one

Names & synonyms

1-benzyl-1,5,6,7-tetrahydro-4h-indol-4-one13671-74-41-benzyl-4,5,6,7-tetrahydro-1H-indol-4-oneNSC131743SCHEMBL11275611DTXSID30299647XQFYFKMPBWSFOP-UHFFFAOYSA-NAKOS004907163NSC-131743N-benzyl-4-oxo-4,5,6,7-tetrahydroindoleAD-310/30361006

Database identifiers

CAS: 13671-74-4
PubChem CID: 280271
DTXSID: DTXSID30299647
Nikkaji: J727.504H

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 22 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 283

Related reactions

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HRID 1156501As productuspto-grants-1982_06

Compound notes

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