chempirical

1,5-Dihydro-3-ethyl-4-methyl-2H-pyrrol-2-one

C7H11NOCAS 766-36-9125.17 g/mol

Open in Covalent MOL file
HNO
Alkene

Properties

Molecular formula
C7H11NO
Molar mass
125.17 g/mol
Exact mass
125.0841 Da
Melting point
100–101 °C
logP
1.68Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
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
766-36-9
SMILES
CCC1=C(C)CN=C1O
InChIKey
YCTNTSVMJWIYTQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

9 names
  • 3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one
  • 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-
  • 3-Pyrrolin-2-one, 3-ethyl-4-methyl-
  • 3-Ethyl-4-methyl-3-pyrrolin-2-one
  • 3-Ethyl-4-methyl-2-oxo-3-pyrroline
  • 3-Ethyl-4-methyl-1,5-dihydropyrrol-2-one
  • 3-Ethyl-4-methylpyrrolin-2-one
  • 3-Ethyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one
  • 3-Ethyl-1,2-dihydro-4-methyl-5H-pyrrol-2-one

Work with 1,5-Dihydro-3-ethyl-4-methyl-2H-pyrrol-2-one

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

(3Z)-3,4-Dimethyl-3-hexene19550-87-936 % similar

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

Same formula

Cyclohexyl isocyanate3173-53-3 2-Azabicyclo(2.2.2)octan-3-one3306-69-2 N-Propargylmorpholine5799-76-8 Pivaloylacetonitrile59997-51-2 1-Hydroxycyclohexanecarbonitrile931-97-5

Elsewhere

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