chempirical

1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

C8H11NOCAS 39741-41-8137.18 g/mol

Open in Covalent MOL file
NO
Ketone

Properties

Molecular formula
C8H11NO
Molar mass
137.18 g/mol
Exact mass
137.0841 Da
Boiling point
82 °C (at 12 Torr)
logP
1.71Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
39741-41-8
SMILES
CCn1cccc1C(C)=O
InChIKey
HQADRFRTIALOCB-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1-(1-ethyl-1H-pyrrol-2-yl)-
  • 1-Ethyl-2-acetylpyrrole
  • N-Ethyl-2-acetylpyrrole
  • 1-(1-Ethylpyrrol-2-yl)ethanone
  • 1-(1-Ethyl-1H-pyrrol-2-yl)ethan-1-one

Work with 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

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-Acetyl-1-methylpyrrole932-16-155 % similar 1,2-Diacetylbenzene704-00-738 % similar Acetophenone98-86-236 % similar 1,4-Diacetylbenzene1009-61-635 % similar 1,3-Diacetylbenzene6781-42-635 % similar 2'-Hydroxyacetophenone104809-67-835 % similar 2′-Hydroxyacetophenone118-93-435 % similar 4′-Ethylacetophenone937-30-435 % similar

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

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 Para-cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-α-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

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