3-acetyl-5-methyl-1H-imidazol-2-one

C6H8N2O2 — CID 101123144

IUPAC3-acetyl-5-methyl-1H-imidazol-2-one
SMILESCC(=O)n1cc(C)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-8(5(2)9)6(10)7-4/h3H,1-2H3,(H,7,10)
InChIKeyGPYKHQZPJWTXKO-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.14
Rot. Bonds

About 3-acetyl-5-methyl-1H-imidazol-2-one

3-acetyl-5-methyl-1H-imidazol-2-one (PubChem CID 101123144) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-acetyl-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-acetyl-5-methyl-1H-imidazol-2-one
PubChem CID101123144
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-acetyl-5-methyl-1H-imidazol-2-one
SMILESCC(=O)n1cc(C)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-8(5(2)9)6(10)7-4/h3H,1-2H3,(H,7,10)
InChIKeyGPYKHQZPJWTXKO-UHFFFAOYSA-N
XLogP0.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
1,3-Diacetyl-4-methyl-1,3-dihydro-2H-imidazol-2-one
CID 12699181
3,3-diacetyl-4-(bromomethyl)-1H-imidazol-3-ium-2-one
CID 18662988
(4-Methyl-2-oxo-1,3-dihydroimidazol-1-yl)acetamide
CID 19350748
2-(3,4-Dimethyl-2-oxoimidazol-1-yl)acetamide
CID 19350750
ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate
CID 54363943
4-methyl-1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 81446270
1-ethyl-4-methyl-2,3-dihydro-1H-imidazol-2-one
CID 81448417
N-(prop-1-en-2-ylcarbamoyl)acetamide
CID 122545105
5-ethyl-2-oxo-1H-imidazole-3-carboxamide
CID 123391411
1-Prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
3-ethenyl-5-methyl-1H-imidazol-2-one
CID 150909939

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-acetyl-5-methyl-1H-imidazol-2-one (CID 101123144) is 3-acetyl-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-acetyl-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-acetyl-5-methyl-1H-imidazol-2-one is CC(=O)n1cc(C)[nH]c1=O.
What is the InChIKey of 3-acetyl-5-methyl-1H-imidazol-2-one?
The InChIKey is GPYKHQZPJWTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-8(5(2)9)6(10)7-4/h3H,1-2H3,(H,7,10).
What are the key properties of 3-acetyl-5-methyl-1H-imidazol-2-one?
3-acetyl-5-methyl-1H-imidazol-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 101123144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).