1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one

C12H11Br2NO — CID 168685715

IUPAC1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H11Br2NO/c1-2-8-5-12(16)15(7-8)11-6-9(13)3-4-10(11)14/h2-4,6,8H,1,5,7H2
InChIKeyXDXPPVFXXKSGJO-UHFFFAOYSA-N
MW345.03 g/mol
LogP3.75
Rot. Bonds2

About 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one

1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168685715) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168685715
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC Name1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H11Br2NO/c1-2-8-5-12(16)15(7-8)11-6-9(13)3-4-10(11)14/h2-4,6,8H,1,5,7H2
InChIKeyXDXPPVFXXKSGJO-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750
5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzaldehyde
CID 168685774
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168686294
3-bromo-4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168685980
ethyl 5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684142
1-(2,5-dibromophenyl)-4-ethynylpyrrolidin-2-one
CID 168502076
1-(2-amino-4-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684699
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one (CID 168685715) is 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Br)ccc2Br)C1.
What is the InChIKey of 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is XDXPPVFXXKSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-2-8-5-12(16)15(7-8)11-6-9(13)3-4-10(11)14/h2-4,6,8H,1,5,7H2.
What are the key properties of 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one?
1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 345.03 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).