chempirical

2,4-Pentanedione oxime

C5H10N2O2CAS 2157-56-4130.15 g/mol

Open in Covalent MOL file
NOHNHO
Oxime

Properties

Molecular formula
C5H10N2O2
Molar mass
130.15 g/mol
Exact mass
130.0742 Da
Melting point
149–150 °C
logP
1.08Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
2157-56-4
SMILES
CC(CC(C)=NO)=NO
InChIKey
WBRYLZHYOFBTPD-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 2,4-Pentanedione, 2,4-dioxime
  • 2,4-Pentanedione, dioxime
  • Acetylacetone dioxime
  • 2,4-Pentanedioxime
  • NSC 1843

Work with 2,4-Pentanedione oxime

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

Methylethyl ketone oxime96-29-760 % similar Benzoquinone dioxime105-11-342 % similar Acetone oxime127-06-042 % similar Dimethylglyoxime95-45-442 % similar Acetohydroxamic acid546-88-338 % similar 3-Methyl-2-pyrazolin-5-one108-26-938 % similar Sodium dimethylglyoximate60908-54-536 % similar Ethyl N-hydroxyethanimidate10576-12-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Piperazine-2-carboxylic acid147650-70-2 (2S)-2-(Acetylamino)propanamide15962-47-7 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook