chempirical

2-Acetyl-1-pyrroline

C6H9NOCAS 85213-22-5111.14 g/mol

Open in Covalent MOL file
ON
ImineKetone

Properties

Molecular formula
C6H9NO
Molar mass
111.14 g/mol
Exact mass
111.0684 Da
logP
0.81Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
85213-22-5
SMILES
CC(=O)C1=NCCC1
InChIKey
DQBQWWSFRPLIAX-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)-
  • 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone
  • 2-Acetyl-4,5-dihydro-3H-pyrrole
  • 1-(4,5-Dihydro-3H-pyrrol-2-yl)ethanone

Work with 2-Acetyl-1-pyrroline

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

2-Methyl-1-pyrroline872-32-242 % similar 4-Acetamidobutyric acid3025-96-539 % similar 2-Acetyl-2-thiazoline29926-41-839 % similar Diacetyl431-03-836 % similar 2,3-Heptanedione96-04-835 % similar 1-Acetylcyclohexene932-66-134 % similar 2,3-Hexanedione3848-24-633 % similar 6-Acetylaminocaproic acid57-08-933 % similar

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

Same formula

5-Methyl-2-furanmethanamine14003-16-8 1-(Hydroxymethyl)cyclopropaneacetonitrile152922-71-9 Trimethyloxazole20662-84-4 Tetrahydro-2H-pyran-4-carbonitrile4295-99-2 Cyclopentyl isocyanate4747-71-1 3-Amino-2-cyclohexen-1-one5220-49-5 5-Ethenyl-2-pyrrolidinone7529-16-0 N-Vinylpyrrolidone88-12-0

Elsewhere

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