chempirical

N-Acetylacetamide

C4H7NO2CAS 625-77-4101.10 g/mol

Open in Covalent MOL file
ONHO

Properties

Molecular formula
C4H7NO2
Molar mass
101.10 g/mol
Exact mass
101.0477 Da
Melting point
79 °C
Boiling point
223.5 °C
logP
0.51Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
625-77-4
SMILES
CC(=O)N=C(C)O
InChIKey
ZSBDPRIWBYHIAF-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)

Weigh it out

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

Names and synonyms

4 names
  • Acetamide, N-acetyl-
  • Diacetamide
  • Diacetylamine
  • NSC 405639

Work with N-Acetylacetamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetamidoacrylic acid5429-56-146 % similar N-(Aminoiminomethyl)acetamide5699-40-146 % similar Acetylurea591-07-144 % similar 1,2-Diacetylhydrazine3148-73-043 % similar N-[(Methylamino)carbonyl]acetamide623-59-642 % similar Acetylthiourea591-08-241 % similar Methyl 2-acetamidoacrylate35356-70-841 % similar Acetohydroxamic acid546-88-339 % 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 (±)-2-Azetidinecarboxylic acid2517-04-6 4-Hydroxy-2-pyrrolidinone25747-41-5 3-Azetidinecarboxylic acid36476-78-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook