1-(3-chloropropyl)pyrrolidine-2,5-dione

C7H10ClNO2 — CID 16788086

IUPAC1-(3-chloropropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCl
InChIInChI=1S/C7H10ClNO2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5H2
InChIKeySNZXFHKNBQFGQU-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.76
Rot. Bonds3

About 1-(3-chloropropyl)pyrrolidine-2,5-dione

1-(3-chloropropyl)pyrrolidine-2,5-dione (PubChem CID 16788086) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 1-(3-chloropropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloropropyl)pyrrolidine-2,5-dione
PubChem CID16788086
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name1-(3-chloropropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCl
InChIInChI=1S/C7H10ClNO2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5H2
InChIKeySNZXFHKNBQFGQU-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloropropyl)pyrrolidine-2,5-dione (CID 16788086) is 1-(3-chloropropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloropropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloropropyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)pyrrolidine-2,5-dione?
The InChIKey is SNZXFHKNBQFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5H2.
What are the key properties of 1-(3-chloropropyl)pyrrolidine-2,5-dione?
1-(3-chloropropyl)pyrrolidine-2,5-dione has a molecular weight of 175.61 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 16788086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).