2-Acetyl-3-ethylpyrazine

C8H10N2OCAS 32974-92-8150.18 g/mol

Open in Covalent MOL file
NNO
Ketone

Properties

Molecular formula
C8H10N2O
Molar mass
150.18 g/mol
Exact mass
150.0793 Da
Density
1.068–1.079 g/mL
Boiling point
77 °C (at 6 Torr)
logP
1.24Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,451 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
32974-92-8
SMILES
CCc1nccnc1C(C)=O
InChIKey
PPJSYGVFDJEMRP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.74 (d, J = 2.5 Hz, 1H), 8.56 (d, J = 2.5 Hz, 1H), 2.82 (q, J = 7.0 Hz, 2H), 2.61 (s, 3H), 1.26 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 198.3, 160.7, 153.2, 149.7, 142.5, 32.3, 29.5, 15.3.
[M + H]+
[M + H]+ Calcd for C8H11N2O 151.0866
[M + Na]+
[M + Na]+ Calcd for C8H10N2NaO 173.0685
[M − H]−
[M − H]− Calcd for C8H9N2O 149.0720
Elemental analysis
Anal. Calcd for C8H10N2O: C, 63.98; H, 6.71; N, 18.65.

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1-(3-ethyl-2-pyrazinyl)-
  • Ethanone, 1-(3-ethylpyrazinyl)-
  • 1-(3-Ethyl-2-pyrazinyl)ethanone
  • 1-(3-Ethylpyrazin-2-yl)ethanone
  • 1-(3-Ethylpyrazin-2-yl)ethan-1-one

Work with 2-Acetyl-3-ethylpyrazine

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

Similar compounds

2-Acetyl-3-methylpyrazine23787-80-653 % similar 2,3-Diethylpyrazine15707-24-152 % similar 2-Ethyl-3-methylpyrazine15707-23-044 % similar 2-Acetyl-3-fluoropyridine87674-20-243 % similar Acetylpyrazine22047-25-240 % similar 2-Ethyl-3-methoxypyrazine25680-58-440 % similar 2-(Methylthio)-3-ethylpyrazine72987-62-340 % similar 2-Acetyl-3-pyridinecarboxylic acid89942-59-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Aminoacetanilide102-28-3 Acetylphenylhydrazine114-83-0 4-Aminoacetanilide122-80-5 3-Methylbenzohydrazide13050-47-0 N,N-Dimethyl-4-nitrosoaniline138-89-6 4-Methylbenzamidoxime19227-13-5 3-Amino-4-methylbenzamide19406-86-1 3-Amino-N-methylbenzamide25900-61-2

Elsewhere

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