1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione

C8H10BrNO2 — CID 86020552

IUPAC1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC=CCBr
InChIInChI=1S/C8H10BrNO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h1-2H,3-6H2
InChIKeyVYPJBXUGAIWPPW-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.09
Rot. Bonds3

About 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione

1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione (PubChem CID 86020552) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione
PubChem CID86020552
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC=CCBr
InChIInChI=1S/C8H10BrNO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h1-2H,3-6H2
InChIKeyVYPJBXUGAIWPPW-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Propen-1-yl)-2,5-pyrrolidinedione
CID 200708
1-[(E)-but-2-enyl]pyrrolidine-2,5-dione
CID 14942503
1-Buta-2,3-dienylpyrrolidine-2,5-dione
CID 11457780
1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
CID 134969395
1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione
CID 145491476
1-[(E)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 13129826
1-[4-(2,5-Dihydropyrrol-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
CID 21390512
1-But-2-enylpyrrolidine-2,5-dione
CID 70609957
1-[(Z)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 139913214
Sodium;hydride;1-prop-2-enylpyrrolidine-2,5-dione
CID 175445193
1-(2-Bromobut-3-enyl)pyrrolidine-2,5-dione
CID 13129827
4-Bromo-1-prop-2-enylpyrrolidin-2-one
CID 168495737

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione (CID 86020552) is 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC=CCBr.
What is the InChIKey of 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione?
The InChIKey is VYPJBXUGAIWPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h1-2H,3-6H2.
What are the key properties of 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione?
1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione has a molecular weight of 232.08 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-2-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86020552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).