(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione

C11H8ClNO2 — CID 44627213

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15)/b8-5+
InChIKeyQLCUWXSJWBULLI-VMPITWQZSA-N
MW221.64 g/mol
LogP1.77
Rot. Bonds1

About (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 44627213) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID44627213
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15)/b8-5+
InChIKeyQLCUWXSJWBULLI-VMPITWQZSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione (CID 44627213) is (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C\c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is QLCUWXSJWBULLI-VMPITWQZSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15)/b8-5+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 221.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 44627213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).