3-bromo-2-methylprop-2-enamide

C4H6BrNO — CID 74054266

IUPAC3-bromo-2-methylprop-2-enamide
SMILESCC(=CBr)C(N)=O
InChIInChI=1S/C4H6BrNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyCEFRRTYYQXLEES-UHFFFAOYSA-N
MW164.00 g/mol
LogP0.77
Rot. Bonds1

About 3-bromo-2-methylprop-2-enamide

3-bromo-2-methylprop-2-enamide (PubChem CID 74054266) has the molecular formula C4H6BrNO and a molecular weight of 164.00 g/mol. Its IUPAC name is 3-bromo-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-bromo-2-methylprop-2-enamide
PubChem CID74054266
Molecular FormulaC4H6BrNO
Molecular Weight164.00 g/mol
Exact Mass162.96
IUPAC Name3-bromo-2-methylprop-2-enamide
SMILESCC(=CBr)C(N)=O
InChIInChI=1S/C4H6BrNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyCEFRRTYYQXLEES-UHFFFAOYSA-N
XLogP0.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.00
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-bromo-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylprop-2-enamide?
The IUPAC name of 3-bromo-2-methylprop-2-enamide (CID 74054266) is 3-bromo-2-methylprop-2-enamide.
What is the SMILES notation for 3-bromo-2-methylprop-2-enamide?
The canonical SMILES for 3-bromo-2-methylprop-2-enamide is CC(=CBr)C(N)=O.
What is the InChIKey of 3-bromo-2-methylprop-2-enamide?
The InChIKey is CEFRRTYYQXLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7).
What are the key properties of 3-bromo-2-methylprop-2-enamide?
3-bromo-2-methylprop-2-enamide has a molecular weight of 164.00 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylprop-2-enamide is sourced from PubChem (CID 74054266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).