1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one

C15H14ClNO4 — CID 140681893

IUPAC1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2CCCC2=O)O1
InChIInChI=1S/C15H14ClNO4/c1-9-13(19)14(20)15(21-9,17-8-2-3-12(17)18)10-4-6-11(16)7-5-10/h4-7,19H,2-3,8H2,1H3
InChIKeyDQWPAXHJYKTRSY-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.50
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one

1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one (PubChem CID 140681893) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
PubChem CID140681893
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2CCCC2=O)O1
InChIInChI=1S/C15H14ClNO4/c1-9-13(19)14(20)15(21-9,17-8-2-3-12(17)18)10-4-6-11(16)7-5-10/h4-7,19H,2-3,8H2,1H3
InChIKeyDQWPAXHJYKTRSY-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-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

1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 132139298
1-[5-(4-Chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833776
4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one
CID 5766365
(4Z)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 126477525
1-[5-(4-Chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 118262099
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
CID 140681886
[5-(4-Chlorophenyl)-2-methyl-4-oxo-5-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140681890
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
CID 140681891
[5-(4-Chlorophenyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681897
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
CID 140681898
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140681900

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one (CID 140681893) is 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one is CC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2CCCC2=O)O1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one?
The InChIKey is DQWPAXHJYKTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9-13(19)14(20)15(21-9,17-8-2-3-12(17)18)10-4-6-11(16)7-5-10/h4-7,19H,2-3,8H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one?
1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one has a molecular weight of 307.73 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 140681893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).