1-(4-chlorophenyl)pyrrolidine-2,4-dione

C10H8ClNO2 — CID 79515714

IUPAC1-(4-chlorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H8ClNO2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h1-4H,5-6H2
InChIKeyMMWJVXLNIILJGW-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.65
Rot. Bonds1

About 1-(4-chlorophenyl)pyrrolidine-2,4-dione

1-(4-chlorophenyl)pyrrolidine-2,4-dione (PubChem CID 79515714) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrrolidine-2,4-dione
PubChem CID79515714
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(4-chlorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H8ClNO2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h1-4H,5-6H2
InChIKeyMMWJVXLNIILJGW-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)pyrrolidine-2,4-dione 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

p-Chloroacetoacetanilide
CID 7587
1-(3-Chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2840997
2,5-Piperidinedione, 1-(3-chlorophenyl)-
CID 84888
N-(p-Chlorophenyl)succinimide
CID 81369
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 3603561
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 2839645
1-(4-Chlorophenyl)-4-(pyrrolidin-1-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9816707
1-(3,5-Dichlorophenyl)pyrrolidin-2-one
CID 1482471
1-(4-Chlorophenyl)-2-pyrrolidinone
CID 2724713
1-(2-Chlorophenyl)pyrrolidin-2-one
CID 4140553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)pyrrolidine-2,4-dione (CID 79515714) is 1-(4-chlorophenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)pyrrolidine-2,4-dione?
The InChIKey is MMWJVXLNIILJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h1-4H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)pyrrolidine-2,4-dione?
1-(4-chlorophenyl)pyrrolidine-2,4-dione has a molecular weight of 209.63 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79515714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).