3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

HCID 3131306

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Basic information

CAS: 337923-58-7
Standard SMILES: COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CC2CCCO2)cc1
InChIKey: KBGAOLYEZDMEMH-UHFFFAOYSA-N
Molecular formula: C18H21NO5
Average molar mass: 331.4 g/mol
Monoisotopic mass: 331.14197277

Names & identifiers

Preferred name: 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
IUPAC: 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

Names & synonyms

337923-58-74-Acetyl-1,5-dihydro-3-hydroxy-5-(4-methoxyphenyl)-1-[(tetrahydro-2-furanyl)methyl]-2H-pyrrol-2-oneCBMicro_041658DTXSID001114654AKOS000566612AKOS0304846543-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-oneBIM-0041683.P001ST511796904-ACETYL-3-HYDROXY-5-(4-METHOXYPHENYL)-1-(OXOLAN-2-YLMETHYL)-5H-PYRROL-2-ONE4-acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one4-Acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one

Database identifiers

CAS: 337923-58-7
PubChem CID: 3131306
DTXSID: DTXSID001114654

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 76.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 536

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