1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione

C15H14BrNO3 — CID 139259773

IUPAC1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
SMILESO=C1CCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H14BrNO3/c16-9-4-6-10(7-5-9)17-14(19)8-12(15(17)20)11-2-1-3-13(11)18/h4-7,11-12H,1-3,8H2
InChIKeyKXUYBRWAFSIVMB-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.70
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione (PubChem CID 139259773) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
PubChem CID139259773
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
SMILESO=C1CCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H14BrNO3/c16-9-4-6-10(7-5-9)17-14(19)8-12(15(17)20)11-2-1-3-13(11)18/h4-7,11-12H,1-3,8H2
InChIKeyKXUYBRWAFSIVMB-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-3-(2-oxocyclopentyl)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-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione (CID 139259773) is 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione is O=C1CCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione?
The InChIKey is KXUYBRWAFSIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-9-4-6-10(7-5-9)17-14(19)8-12(15(17)20)11-2-1-3-13(11)18/h4-7,11-12H,1-3,8H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione has a molecular weight of 336.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139259773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).