chempirical

1-Acetyl-2-pyrrolidone

C6H9NO2CAS 932-17-2127.14 g/mol

Open in Covalent MOL file
ONO
AmideLactam

Properties

Molecular formula
C6H9NO2
Molar mass
127.14 g/mol
Exact mass
127.0633 Da
Boiling point
118 °C (at 20 Torr)
logP
0.16Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
932-17-2
SMILES
CC(=O)N1CCCC1=O
InChIKey
YLHUPYSUKYAIBW-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Pyrrolidinone, 1-acetyl-
  • 1-Acetyl-2-pyrrolidinone
  • 1-Acetylpyrrolidone
  • N-Acetylpyrrolidinone
  • N-Acetylpyrrolidone
  • N-Acetyl-2-pyrrolidinone
  • N-Acetyl-α-pyrrolidone
  • N-Acetyl-2-pyrrolidone
  • N-Acetyl-α-pyrrolidinone
  • N-Acetylbutyrolactam
  • NSC 50334

Work with 1-Acetyl-2-pyrrolidone

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

Acetylcaprolactam1888-91-183 % similar Tetraacetylethylenediamine10543-57-457 % similar N-Ethyl-2-pyrrolidone2687-91-450 % similar N-Methyl-2-pyrrolidone872-50-450 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-648 % similar N-Butyl-2-pyrrolidone3470-98-248 % similar N-Acetylpyrrolidine4030-18-646 % similar N-Octylpyrrolidone2687-94-745 % similar

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

Same formula

1-Methylethyl 2-cyanoacetate13361-30-3 (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid134003-04-6 Propyl cyanoacetate14447-15-5 Ethyl 2-cyanopropanoate1572-99-2 3,5-Dimethyl-4-isoxazolemethanol19788-36-4 (1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid22255-16-9 α-(Aminomethyl)-2-furanmethanol2745-22-4 5-Ethoxy-4-methyloxazole5006-20-2

Elsewhere

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