1-Ethyl-1H-pyrrole

C6H9NCAS 617-92-595.14 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C6H9N
Molar mass
95.14 g/mol
Exact mass
95.0735 Da
Density
0.9005 g/mL (at 20 °C)
Boiling point
129.5 °C
logP
1.51Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
617-92-5
SMILES
CCn1cccc1
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrrole, 1-ethyl-
  • Pyrrole, 1-ethyl-
  • N-Ethylpyrrole
  • 1-Ethylpyrrole
  • NSC 6756

Work with 1-Ethyl-1H-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethylpyrazole2817-71-243 % similar 1-Ethylimidazole7098-07-943 % similar 1-Methylimidazole ethiodide35935-34-336 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-936 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-036 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-333 % similar N-Benzylpyrrole2051-97-033 % similar 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopentanecarbonitrile4254-02-8 5-Hexenenitrile5048-19-1 2,2-Dimethylcyclopropanecarbonitrile5722-11-2 2,4-Dimethylpyrrole625-82-1 2,5-Dimethylpyrrole625-84-3

Elsewhere

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