1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one

C8H13BrN2O2 — CID 43627372

IUPAC1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one
SMILESCC(C)C(Br)C(=O)N1CCNC1=O
InChIInChI=1S/C8H13BrN2O2/c1-5(2)6(9)7(12)11-4-3-10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyJQESLVNNTMSDHA-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one

1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one (PubChem CID 43627372) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one
PubChem CID43627372
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one
SMILESCC(C)C(Br)C(=O)N1CCNC1=O
InChIInChI=1S/C8H13BrN2O2/c1-5(2)6(9)7(12)11-4-3-10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyJQESLVNNTMSDHA-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one?
The IUPAC name of 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one (CID 43627372) is 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one is CC(C)C(Br)C(=O)N1CCNC1=O.
What is the InChIKey of 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one?
The InChIKey is JQESLVNNTMSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-5(2)6(9)7(12)11-4-3-10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one?
1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one has a molecular weight of 249.11 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylbutanoyl)imidazolidin-2-one is sourced from PubChem (CID 43627372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).