1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione

C9H12BrNO2 — CID 134969395

IUPAC1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC/C=C/Br
InChIInChI=1S/C9H12BrNO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h2,6H,1,3-5,7H2/b6-2+
InChIKeyFNINAKJAUKNTQW-QHHAFSJGSA-N
MW246.10 g/mol
LogP1.82
Rot. Bonds4

About 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione

1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione (PubChem CID 134969395) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
PubChem CID134969395
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC/C=C/Br
InChIInChI=1S/C9H12BrNO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h2,6H,1,3-5,7H2/b6-2+
InChIKeyFNINAKJAUKNTQW-QHHAFSJGSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(3,4-Pentadien-1-yl)-2,5-pyrrolidinedione
CID 543505
1-[(E)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 13129826
1-Hexa-1,5-dien-3-ylpyrrolidine-2,5-dione
CID 13487656
1-(2-Methylbut-3-enyl)pyrrolidine-2,5-dione
CID 70400128
1-[(Z)-4-bromobut-2-enyl]pyrrolidine-2,5-dione
CID 139913214
1-Hept-6-enylpyrrolidine-2,5-dione
CID 144870638
1-Hex-5-enylpyrrolidine-2,5-dione
CID 154091219
1-(2-Bromobut-3-enyl)pyrrolidine-2,5-dione
CID 13129827
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-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione (CID 134969395) is 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC/C=C/Br.
What is the InChIKey of 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione?
The InChIKey is FNINAKJAUKNTQW-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h2,6H,1,3-5,7H2/b6-2+.
What are the key properties of 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione?
1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione has a molecular weight of 246.10 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134969395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).