PI 091

AlkaPlorer ID: AK063260

Synonym: None

IUPAC Name: 3-(2-hydroxy-2-methyloctanoyl)-5-methoxy-5-propan-2-yl-1H-pyrrol-2-one

Structure

SMILES: CCCCCCC(C)(O)C(=O)C1=CC(OC)(C(C)C)NC1=O

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InChI: InChI=1S/C17H29NO4/c1-6-7-8-9-10-16(4,21)14(19)13-11-17(22-5,12(2)3)18-15(13)20/h11-12,21H,6-10H2,1-5H3,(H,18,20)

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InChIKey: ZPRHLCQHLGKOOC-UHFFFAOYSA-N

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Reference

PubChem CID: 14748799

COCONUT: CNP0336613

Properties Information

Molecule Weight: 311.422

TPSA: 75.63

MolLogP: 2.3318

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information