1-ethenyl-3-methylimidazol-2-one

C6H8N2O — CID 178109189

IUPAC1-ethenyl-3-methylimidazol-2-one
SMILESC=Cn1ccn(C)c1=O
InChIInChI=1S/C6H8N2O/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3
InChIKeyRYHAOJSCIYMXDY-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.29
Rot. Bonds1

About 1-ethenyl-3-methylimidazol-2-one

1-ethenyl-3-methylimidazol-2-one (PubChem CID 178109189) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-ethenyl-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-ethenyl-3-methylimidazol-2-one
PubChem CID178109189
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-ethenyl-3-methylimidazol-2-one
SMILESC=Cn1ccn(C)c1=O
InChIInChI=1S/C6H8N2O/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3
InChIKeyRYHAOJSCIYMXDY-UHFFFAOYSA-N
XLogP0.29
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethenyl-3-methylimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-2,3-dihydro-1H-imidazol-2-one
CID 566589
1,3-Dimethyl-2-imidazolone
CID 6933312
Divinyl urea
CID 23500969
1,3-Bis(ethenyl)imidazol-2-one
CID 45087691
4-Hydroxy-1,3-dimethylimidazol-2-one
CID 53710444
1,3-Dimethylimidazolium carboxylate
CID 89823013
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
4-Fluoro-1,3-dimethylimidazol-2-one
CID 152172525
1-Ethyl-3-(2-fluoroethyl)imidazol-2-one
CID 116624320
1-(Difluoromethyl)-3-methylimidazol-2-one
CID 116624501
1-(2-Fluoroethyl)-3-methylimidazol-2-one
CID 116624561
1-Methyl-3-hydroxymethyl-4-imidazolin-2-one
CID 14245714

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylimidazol-2-one?
The IUPAC name of 1-ethenyl-3-methylimidazol-2-one (CID 178109189) is 1-ethenyl-3-methylimidazol-2-one.
What is the SMILES notation for 1-ethenyl-3-methylimidazol-2-one?
The canonical SMILES for 1-ethenyl-3-methylimidazol-2-one is C=Cn1ccn(C)c1=O.
What is the InChIKey of 1-ethenyl-3-methylimidazol-2-one?
The InChIKey is RYHAOJSCIYMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-3-methylimidazol-2-one?
1-ethenyl-3-methylimidazol-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylimidazol-2-one is sourced from PubChem (CID 178109189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).