3-methyl-4H-imidazol-5-one

C4H6N2O — CID 19609069

IUPAC3-methyl-4H-imidazol-5-one
SMILESCN1C=NC(=O)C1
InChIInChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h3H,2H2,1H3
InChIKeyCSAJUFLXZFOWKO-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.51
Rot. Bonds

About 3-methyl-4H-imidazol-5-one

3-methyl-4H-imidazol-5-one (PubChem CID 19609069) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 3-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name3-methyl-4H-imidazol-5-one
PubChem CID19609069
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name3-methyl-4H-imidazol-5-one
SMILESCN1C=NC(=O)C1
InChIInChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h3H,2H2,1H3
InChIKeyCSAJUFLXZFOWKO-UHFFFAOYSA-N
XLogP-0.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-imidazol-5-one?
The IUPAC name of 3-methyl-4H-imidazol-5-one (CID 19609069) is 3-methyl-4H-imidazol-5-one.
What is the SMILES notation for 3-methyl-4H-imidazol-5-one?
The canonical SMILES for 3-methyl-4H-imidazol-5-one is CN1C=NC(=O)C1.
What is the InChIKey of 3-methyl-4H-imidazol-5-one?
The InChIKey is CSAJUFLXZFOWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h3H,2H2,1H3.
What are the key properties of 3-methyl-4H-imidazol-5-one?
3-methyl-4H-imidazol-5-one has a molecular weight of 98.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-imidazol-5-one is sourced from PubChem (CID 19609069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).