2-Hydroxy-3-methyl-1H-indole; (ξ)-form 

AlkaPlorer ID: AK301510

Synonym: None

IUPAC Name: 3-methyl-1,3-dihydroindol-2-one

Structure

SMILES: CC1C(O)=NC2=CC=CC=C21

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InChI: InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)

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InChIKey: BBZCPUCZKLTAJQ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 147.177

TPSA: 32.59

MolLogP: 2.391700000000001

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001689 C=C1C(=O)Nc2ccccc21>>CC1C(=O)Nc2ccccc21 3-METHYLENEOXINDOLE-REDUCTASE-RXN