Acetoacetamide

C4H7NO2CAS 5977-14-0101.11 g/mol

Open in Covalent MOL file
ONH2O
Ketone

Properties

Molecular formula
C4H7NO2
Molar mass
101.11 g/mol
Exact mass
101.0477 Da
Melting point
48 °C
logP
0.50Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 169 ECHA notifiers. Aggregated from 169 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5977-14-0
SMILES
CC(=O)CC(=N)O
InChIKey
GCPWJFKTWGFEHH-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)

Weigh it out

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

Names and synonyms

7 names
  • Butanamide, 3-oxo-
  • 3-Oxobutanamide
  • α-Acetylacetamide
  • Acetylacetamide
  • Acetoacetic acid amide
  • NSC 632231
  • 3-Oxobutyramide

Work with Acetoacetamide

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

Malonamide108-13-452 % similar Acetylacetone123-54-652 % similar N-Methylacetoacetamide20306-75-645 % similar Succinylacetone51568-18-442 % similar 1,1-Difluoroacetylacetone41739-23-541 % similar Hydroxyacetone116-09-640 % similar Propanamide79-05-040 % similar Levulinic acid123-76-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Morpholinone109-11-5 3-Hydroxy-2-pyrrolidinone15166-68-4 3-Methyl-2-oxazolidinone19836-78-3 Azetidine-2-carboxylic acid2133-34-8 1-Aminocyclopropane-1-carboxylic acid22059-21-8 (R)-(+)-4-Hydroxy-2-pyrrolidinone22677-21-0 (±)-2-Azetidinecarboxylic acid2517-04-6 4-Hydroxy-2-pyrrolidinone25747-41-5

Elsewhere

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