1-(2-bromobutanoyl)imidazolidin-2-one

C7H11BrN2O2 — CID 62856659

IUPAC1-(2-bromobutanoyl)imidazolidin-2-one
SMILESCCC(Br)C(=O)N1CCNC1=O
InChIInChI=1S/C7H11BrN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyVHPGHKZTFQSOLG-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.71
Rot. Bonds2

About 1-(2-bromobutanoyl)imidazolidin-2-one

1-(2-bromobutanoyl)imidazolidin-2-one (PubChem CID 62856659) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-(2-bromobutanoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-bromobutanoyl)imidazolidin-2-one
PubChem CID62856659
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name1-(2-bromobutanoyl)imidazolidin-2-one
SMILESCCC(Br)C(=O)N1CCNC1=O
InChIInChI=1S/C7H11BrN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyVHPGHKZTFQSOLG-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.71
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-bromobutanoyl)imidazolidin-2-one?
The IUPAC name of 1-(2-bromobutanoyl)imidazolidin-2-one (CID 62856659) is 1-(2-bromobutanoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-bromobutanoyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-bromobutanoyl)imidazolidin-2-one is CCC(Br)C(=O)N1CCNC1=O.
What is the InChIKey of 1-(2-bromobutanoyl)imidazolidin-2-one?
The InChIKey is VHPGHKZTFQSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12).
What are the key properties of 1-(2-bromobutanoyl)imidazolidin-2-one?
1-(2-bromobutanoyl)imidazolidin-2-one has a molecular weight of 235.08 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobutanoyl)imidazolidin-2-one is sourced from PubChem (CID 62856659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).