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

C11H8BrNO2 — CID 741234

IUPAC(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-7(2-4-8)5-9-10(14)6-13-11(9)15/h1-5H,6H2,(H,13,15)/b9-5+
InChIKeyLVZXJYAUCXIIAQ-WEVVVXLNSA-N
MW266.09 g/mol
LogP1.53
Rot. Bonds1

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

(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione (PubChem CID 741234) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione
PubChem CID741234
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-7(2-4-8)5-9-10(14)6-13-11(9)15/h1-5H,6H2,(H,13,15)/b9-5+
InChIKeyLVZXJYAUCXIIAQ-WEVVVXLNSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione (CID 741234) is (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione is O=C1CNC(=O)/C1=C/c1ccc(Br)cc1.
What is the InChIKey of (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is LVZXJYAUCXIIAQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-8-3-1-7(2-4-8)5-9-10(14)6-13-11(9)15/h1-5H,6H2,(H,13,15)/b9-5+.
What are the key properties of (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione?
(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 266.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 741234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).