5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione

C11H7BrN2O3 — CID 90916966

IUPAC5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione
SMILESO=NC1C(=O)NC(=C(Br)c2ccccc2)C1=O
InChIInChI=1S/C11H7BrN2O3/c12-7(6-4-2-1-3-5-6)8-10(15)9(14-17)11(16)13-8/h1-5,9H,(H,13,16)
InChIKeyCQVLKAHSQMEZKJ-UHFFFAOYSA-N
MW295.09 g/mol
LogP1.58
Rot. Bonds2

About 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione

5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione (PubChem CID 90916966) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione
PubChem CID90916966
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione
SMILESO=NC1C(=O)NC(=C(Br)c2ccccc2)C1=O
InChIInChI=1S/C11H7BrN2O3/c12-7(6-4-2-1-3-5-6)8-10(15)9(14-17)11(16)13-8/h1-5,9H,(H,13,16)
InChIKeyCQVLKAHSQMEZKJ-UHFFFAOYSA-N
XLogP1.58
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione 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

(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one
CID 11369489
benzoyl bromide
CID 12056
9,10-dinitroso-9,10-dihydroanthracene
CID 56609294
4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
CID 4743268
(3aS,4E,6aS)-4-[bromo(phenyl)methylidene]-6a-methyl-5,6-dihydro-3aH-pentalen-1-one
CID 11779726
5-[bromo(phenyl)methylidene]thiophen-2-one
CID 67436636
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
CID 90855444
3-benzoylpyrrolidine-2,5-dione
CID 15178182
CID 87090637
CID 87090637
CID 87293530
CID 87293530
1-benzoyl-4-[[4-[(1-benzoyl-3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]diazenyl]pyrazolidine-3,5-dione
CID 102046044

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione?
The IUPAC name of 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione (CID 90916966) is 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione.
What is the SMILES notation for 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione?
The canonical SMILES for 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione is O=NC1C(=O)NC(=C(Br)c2ccccc2)C1=O.
What is the InChIKey of 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione?
The InChIKey is CQVLKAHSQMEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7(6-4-2-1-3-5-6)8-10(15)9(14-17)11(16)13-8/h1-5,9H,(H,13,16).
What are the key properties of 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione?
5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione has a molecular weight of 295.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione is sourced from PubChem (CID 90916966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).