3-(3-chlorophenyl)pyrrolidine-2,5-dione

C10H8ClNO2 — CID 3057806

IUPAC3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C10H8ClNO2/c11-7-3-1-2-6(4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14)
InChIKeyYUWRQLXIDASZOT-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.47
Rot. Bonds1

About 3-(3-chlorophenyl)pyrrolidine-2,5-dione

3-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 3057806) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 3-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID3057806
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C10H8ClNO2/c11-7-3-1-2-6(4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14)
InChIKeyYUWRQLXIDASZOT-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 3057806) is 3-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(c2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is YUWRQLXIDASZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-7-3-1-2-6(4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14).
What are the key properties of 3-(3-chlorophenyl)pyrrolidine-2,5-dione?
3-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 209.63 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3057806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).