3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione

C7H7Br2NO4 — CID 141371794

IUPAC3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESO=C(C(Br)CBr)C1CC(=O)N(O)C1=O
InChIInChI=1S/C7H7Br2NO4/c8-2-4(9)6(12)3-1-5(11)10(14)7(3)13/h3-4,14H,1-2H2
InChIKeyZOVFERYKMMMCFV-UHFFFAOYSA-N
MW328.94 g/mol
LogP0.48
Rot. Bonds3

About 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione

3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione (PubChem CID 141371794) has the molecular formula C7H7Br2NO4 and a molecular weight of 328.94 g/mol. Its IUPAC name is 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione
PubChem CID141371794
Molecular FormulaC7H7Br2NO4
Molecular Weight328.94 g/mol
Exact Mass326.87
IUPAC Name3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESO=C(C(Br)CBr)C1CC(=O)N(O)C1=O
InChIInChI=1S/C7H7Br2NO4/c8-2-4(9)6(12)3-1-5(11)10(14)7(3)13/h3-4,14H,1-2H2
InChIKeyZOVFERYKMMMCFV-UHFFFAOYSA-N
XLogP0.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.94
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione (CID 141371794) is 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione is O=C(C(Br)CBr)C1CC(=O)N(O)C1=O.
What is the InChIKey of 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is ZOVFERYKMMMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO4/c8-2-4(9)6(12)3-1-5(11)10(14)7(3)13/h3-4,14H,1-2H2.
What are the key properties of 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione?
3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 328.94 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 141371794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).