1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione

C8H10BrNO2 — CID 13129827

IUPAC1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione
SMILESC=CC(Br)CN1C(=O)CCC1=O
InChIInChI=1S/C8H10BrNO2/c1-2-6(9)5-10-7(11)3-4-8(10)12/h2,6H,1,3-5H2
InChIKeyHUEDQMRQGGNJKP-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.08
Rot. Bonds3

About 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione

1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione (PubChem CID 13129827) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione
PubChem CID13129827
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione
SMILESC=CC(Br)CN1C(=O)CCC1=O
InChIInChI=1S/C8H10BrNO2/c1-2-6(9)5-10-7(11)3-4-8(10)12/h2,6H,1,3-5H2
InChIKeyHUEDQMRQGGNJKP-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-Pent-4-enylpyrrolidine-2,5-dione
CID 357830
1-(But-3-en-1-yl)pyrrolidine-2,5-dione
CID 12395836
1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
CID 134969395
1-(3,4-Pentadien-1-yl)-2,5-pyrrolidinedione
CID 543505
1-[(E)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 13129826
1-(2-Methylbut-3-enyl)pyrrolidine-2,5-dione
CID 70400128
1-[(Z)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 139913214
1-Hex-5-enylpyrrolidine-2,5-dione
CID 154091219
1-(4-Bromobut-2-enyl)pyrrolidine-2,5-dione
CID 86020552
3-Bromo-1-but-3-enylpyrrolidin-2-one
CID 116037714

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione (CID 13129827) is 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione is C=CC(Br)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione?
The InChIKey is HUEDQMRQGGNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-2-6(9)5-10-7(11)3-4-8(10)12/h2,6H,1,3-5H2.
What are the key properties of 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione?
1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione has a molecular weight of 232.08 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobut-3-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13129827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).