chempirical

1-(1H-Imidazol-1-yl)ethanone

C5H6N2OCAS 2466-76-4110.12 g/mol

Open in Covalent MOL file
ONN

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
Melting point
99–105 °C
logP
0.54Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2466-76-4
SMILES
CC(=O)n1ccnc1
InChIKey
VIHYIVKEECZGOU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ethanone, 1-(1H-imidazol-1-yl)-
  • Imidazole, 1-acetyl-
  • 1H-Imidazole, 1-acetyl-
  • Acetylimidazole
  • N-Acetylimidazole
  • 1-Acetylimidazole
  • 1-Acetyl-1H-imidazole
  • 1-(1H-Imidazol-1-yl)ethan-1-one

Work with 1-(1H-Imidazol-1-yl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 3-Hydroxypentanedinitrile13880-89-2 2-Amino-3-hydroxypyridine16867-03-1 3-Methoxypyridazine19064-65-4 3-Methyl-2(1H)-pyrazinone19838-07-4 4-Methoxypyridazine20733-11-3 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-9

Elsewhere

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