1-Ethyl-2-acetyl pyrrole

C₈H₁₁NOCAS 39741-41-8137.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁NO
Molar mass: 137.18 g/mol
Exact mass: 137.0841 Da
Density: 1.052–1.058 g/mL
Boiling point: 82 °C (at 12 Torr)
logP: 1.71Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation78.3% of notifiers

Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

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 and density.

Names and synonyms

6 names

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

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-alpha-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

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