3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

C15H17NO5 — CID 2868052

IUPAC3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1
InChIInChI=1S/C15H17NO5/c1-8(17)12-13(16(2)15(19)14(12)18)10-6-5-9(20-3)7-11(10)21-4/h5-7,13,18H,1-4H3
InChIKeyDKOKZMUXKPIHKX-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.62
Rot. Bonds4

About 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 2868052) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID2868052
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1
InChIInChI=1S/C15H17NO5/c1-8(17)12-13(16(2)15(19)14(12)18)10-6-5-9(20-3)7-11(10)21-4/h5-7,13,18H,1-4H3
InChIKeyDKOKZMUXKPIHKX-UHFFFAOYSA-N
XLogP1.62
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 2868052) is 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1.
What is the InChIKey of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is DKOKZMUXKPIHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-8(17)12-13(16(2)15(19)14(12)18)10-6-5-9(20-3)7-11(10)21-4/h5-7,13,18H,1-4H3.
What are the key properties of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 291.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 2868052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).