3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one

C14H15NO4 — CID 2868356

IUPAC3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(17)11-12(10-5-3-2-4-6-10)15(7-8-16)14(19)13(11)18/h2-6,12,16,18H,7-8H2,1H3
InChIKeyLUWSFMQKSQKYTF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.96
Rot. Bonds4

About 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one

3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 2868356) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID2868356
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(17)11-12(10-5-3-2-4-6-10)15(7-8-16)14(19)13(11)18/h2-6,12,16,18H,7-8H2,1H3
InChIKeyLUWSFMQKSQKYTF-UHFFFAOYSA-N
XLogP0.96
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-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

Related Compounds

4-acetyl-1-benzyl-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2891204
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
1-benzyl-4-(2,2-dimethylpropanoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 4149556
Pyrrol-2(5H)-one, 4-acetyl-1-cyclohexyl-3-hydroxy-5-phenyl-
CID 544948
4-acetyl-3-hydroxy-1-(3-hydroxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868300
4-Acetyl-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 610237
3-[3-Acetyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
CID 648150
4-Acetyl-5-(3-fluoro-phenyl)-3-hydroxy-1-(3-methoxy-propyl)-1,5-dihydro-pyrrol-2-one
CID 650972
ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
CID 664969
ethyl [3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
CID 665123
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
1-benzyl-3-hydroxy-4-(3-methylbutanoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 4124709

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one (CID 2868356) is 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is LUWSFMQKSQKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(17)11-12(10-5-3-2-4-6-10)15(7-8-16)14(19)13(11)18/h2-6,12,16,18H,7-8H2,1H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 261.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).