1-benzoyl-3-bromopyrrolidine-2,5-dione

C11H8BrNO3 — CID 150359306

IUPAC1-benzoyl-3-bromopyrrolidine-2,5-dione
SMILESO=C1CC(Br)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C11H8BrNO3/c12-8-6-9(14)13(11(8)16)10(15)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyGVJLCMQUQIRHJY-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.35
Rot. Bonds1

About 1-benzoyl-3-bromopyrrolidine-2,5-dione

1-benzoyl-3-bromopyrrolidine-2,5-dione (PubChem CID 150359306) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 1-benzoyl-3-bromopyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzoyl-3-bromopyrrolidine-2,5-dione
PubChem CID150359306
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name1-benzoyl-3-bromopyrrolidine-2,5-dione
SMILESO=C1CC(Br)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C11H8BrNO3/c12-8-6-9(14)13(11(8)16)10(15)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyGVJLCMQUQIRHJY-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4aS,7R)-2-benzoyl-7-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 101123417
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
CID 170985681
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
CID 23466259
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
CID 90259373
benzoyl bromide
CID 12056
4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)-N-methylbenzamide
CID 25164502
[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163747138
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
3-benzoyl-1,3-oxazolidin-4-one
CID 70346533

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-bromopyrrolidine-2,5-dione?
The IUPAC name of 1-benzoyl-3-bromopyrrolidine-2,5-dione (CID 150359306) is 1-benzoyl-3-bromopyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzoyl-3-bromopyrrolidine-2,5-dione?
The canonical SMILES for 1-benzoyl-3-bromopyrrolidine-2,5-dione is O=C1CC(Br)C(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-3-bromopyrrolidine-2,5-dione?
The InChIKey is GVJLCMQUQIRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-6-9(14)13(11(8)16)10(15)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 1-benzoyl-3-bromopyrrolidine-2,5-dione?
1-benzoyl-3-bromopyrrolidine-2,5-dione has a molecular weight of 282.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-bromopyrrolidine-2,5-dione is sourced from PubChem (CID 150359306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).