1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one

C7H10N2O — CID 154272452

IUPAC1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1C=NCC1
InChIInChI=1S/C7H10N2O/c1-6(2)7(10)9-4-3-8-5-9/h5H,1,3-4H2,2H3
InChIKeyCWUMJDGMSDEMEA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.43
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one

1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one (PubChem CID 154272452) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one
PubChem CID154272452
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1C=NCC1
InChIInChI=1S/C7H10N2O/c1-6(2)7(10)9-4-3-8-5-9/h5H,1,3-4H2,2H3
InChIKeyCWUMJDGMSDEMEA-UHFFFAOYSA-N
XLogP0.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one 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 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one (CID 154272452) is 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one?
The InChIKey is CWUMJDGMSDEMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(2)7(10)9-4-3-8-5-9/h5H,1,3-4H2,2H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one?
1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 154272452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).