chempirical

N-Acetylpyrrolidine

C6H11NOCAS 4030-18-6113.16 g/mol

Open in Covalent MOL file
ON
Amide

Properties

Molecular formula
C6H11NO
Molar mass
113.16 g/mol
Exact mass
113.0841 Da
Boiling point
80 °C (at 10 Torr)
logP
0.63Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4030-18-6
SMILES
CC(=O)N1CCCC1
InChIKey
LNWWQYYLZVZXKS-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(1-pyrrolidinyl)-
  • Pyrrolidine, 1-acetyl-
  • 1-(1-Pyrrolidinyl)ethanone
  • 1-Acetylpyrrolidine
  • 1-(Pyrrolidin-1-yl)ethan-1-one
  • Acetylpyrrolidine

Work with N-Acetylpyrrolidine

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

1-Acetylpiperidine618-42-894 % similar 1-Acetylpiperazine13889-98-061 % similar N-Acetylmorpholine1696-20-461 % similar 1-Acetyl-4-piperidone32161-06-161 % similar N,N-Diethylacetamide685-91-655 % similar Tetraacetylethylenediamine10543-57-452 % similar 1-Acetyl-4-piperidinecarboxylic acid25503-90-648 % similar 1-Acetyl-4-piperidinecarbonyl chloride59084-16-148 % similar

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

Same formula

Cyclohexanone oxime100-64-1 Caprolactam105-60-2 (1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-5 1-Methyl-4-piperidone1445-73-4 2,4,4-Trimethyl-2-oxazoline1772-43-6 N-Isopropylacrylamide2210-25-5 2,4,5-Trimethyl-3-oxazoline22694-96-8 N-Formylpiperidine2591-86-8

Elsewhere

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