3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

C10H7Cl2NO2 — CID 12863013

IUPAC3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)C(=O)N1
InChIInChI=1S/C10H7Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-9(14)13-10(6)15/h1-3,6H,4H2,(H,13,14,15)
InChIKeyWBLHDHPCNPMVOP-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.12
Rot. Bonds1

About 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 12863013) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID12863013
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)C(=O)N1
InChIInChI=1S/C10H7Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-9(14)13-10(6)15/h1-3,6H,4H2,(H,13,14,15)
InChIKeyWBLHDHPCNPMVOP-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)
CID 331439
4-(3,4-Dichlorophenyl)-3-phenylpyrrolidin-2-one
CID 72202713
3-(2-Chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202714
3-(3-Chlorophenyl)-4-(4-chlorophenyl)pyrrolidin-2-one
CID 72202716
4-(3-Chlorophenyl)-3-(4-chlorophenyl)pyrrolidin-2-one
CID 72202848
4-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202849
4-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202850
3,4-Bis(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202984
3-(4-Chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 73349320
3-(3-Chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 73355375
N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide
CID 12044450
[3-Cyclopentyl-2-(3,4-dichloro-phenyl)-propionyl]-urea
CID 18626611

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 12863013) is 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CC(c2ccc(Cl)c(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is WBLHDHPCNPMVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-9(14)13-10(6)15/h1-3,6H,4H2,(H,13,14,15).
What are the key properties of 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 244.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 12863013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).