1-bromopyrrolidine-2,5-dione;propan-2-one

C7H10BrNO3 — CID 23350280

IUPAC1-bromopyrrolidine-2,5-dione;propan-2-one
SMILESCC(C)=O.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.C3H6O/c5-6-3(7)1-2-4(6)8;1-3(2)4/h1-2H2;1-2H3
InChIKeyZDQAMLHRAVGXHT-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.04
Rot. Bonds

About 1-bromopyrrolidine-2,5-dione;propan-2-one

1-bromopyrrolidine-2,5-dione;propan-2-one (PubChem CID 23350280) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-bromopyrrolidine-2,5-dione;propan-2-one.

Molecular Properties

Compound Name1-bromopyrrolidine-2,5-dione;propan-2-one
PubChem CID23350280
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name1-bromopyrrolidine-2,5-dione;propan-2-one
SMILESCC(C)=O.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.C3H6O/c5-6-3(7)1-2-4(6)8;1-3(2)4/h1-2H2;1-2H3
InChIKeyZDQAMLHRAVGXHT-UHFFFAOYSA-N
XLogP1.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromopyrrolidine-2,5-dione;propan-2-one?
The IUPAC name of 1-bromopyrrolidine-2,5-dione;propan-2-one (CID 23350280) is 1-bromopyrrolidine-2,5-dione;propan-2-one.
What is the SMILES notation for 1-bromopyrrolidine-2,5-dione;propan-2-one?
The canonical SMILES for 1-bromopyrrolidine-2,5-dione;propan-2-one is CC(C)=O.O=C1CCC(=O)N1Br.
What is the InChIKey of 1-bromopyrrolidine-2,5-dione;propan-2-one?
The InChIKey is ZDQAMLHRAVGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2.C3H6O/c5-6-3(7)1-2-4(6)8;1-3(2)4/h1-2H2;1-2H3.
What are the key properties of 1-bromopyrrolidine-2,5-dione;propan-2-one?
1-bromopyrrolidine-2,5-dione;propan-2-one has a molecular weight of 236.06 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopyrrolidine-2,5-dione;propan-2-one is sourced from PubChem (CID 23350280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).