1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

C10H7Cl2NO2 — CID 670632

IUPAC1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKeyJPQAYGXNGGHZAG-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.65
Rot. Bonds1

About 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 670632) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID670632
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKeyJPQAYGXNGGHZAG-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 670632) is 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is JPQAYGXNGGHZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2.
What are the key properties of 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 244.08 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 670632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).