Cas no 1028809-94-0 (3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one)

3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one is a deuterated analog of the pyrrolone scaffold, featuring selective ethyl group deuteration (d5). This compound is primarily utilized in mechanistic studies and metabolic research, where isotopic labeling enables precise tracking of molecular pathways via techniques such as mass spectrometry or NMR. The incorporation of deuterium enhances stability against metabolic degradation, improving the reliability of kinetic and tracer experiments. Its well-defined structure and high isotopic purity make it valuable for pharmaceutical and biochemical applications, particularly in drug discovery and development. The compound’s synthetic versatility further supports its use in derivatization for targeted research applications.
3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one structure
1028809-94-0 structure
Product Name:3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one
CAS No:1028809-94-0
MF:C7H11NO
MW:130.199150323868
CID:1064839
PubChem ID:71316451
Update Time:2025-06-07

3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one
    • 3-methyl-4-(1,1,2,2,2-pentadeuterioethyl)-1,2-dihydropyrrol-5-one
    • 3-(Ethyl-1,1,2,2,2-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one
    • DTXSID40747720
    • 1028809-94-0
    • 3-(~2~H_5_)Ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one
    • DB-261799
    • Inchi： 1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)/i1D3,3D2
    • InChI Key： YCTNTSVMJWIYTQ-WNWXXORZSA-N
    • SMILES： O=C1C(C([2H])([2H])C([2H])([2H])[2H])=C(C)CN1

Computed Properties

  • Exact Mass: 130.11500
  • Monoisotopic Mass: 130.115447704g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 32.59000
  • LogP: 1.11860

3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E678487-2.5mg
3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one
 1028809-94-0
2.5mg
 $190.00 2023-05-18
TRC
E678487-25mg
3-(Ethyl-d5)-1,5-dihydro-4-methyl-2H-pyrrol-2-one
 1028809-94-0
25mg
 $1487.00 2023-05-18

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