3-hydroxy-6-dimethylallylindolin (DMAIN)-2-one

AlkaPlorer ID: AK063230

Synonym: None

IUPAC Name: (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one

Structure

SMILES: CC(C)=CCC1=CC=C2C(=C1)N=C(O)[C@@H]2O

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InChI: InChI=1S/C13H15NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7,12,15H,4H2,1-2H3,(H,14,16)/t12-/m1/s1

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InChIKey: VDXLXRFOBZYOIJ-GFCCVEGCSA-N

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Properties Information

Molecule Weight: 217.268

TPSA: 52.82000000000001

MolLogP: 2.8303000000000016

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information