Cas no 72362-15-3 ((5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one)

(5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one structure
72362-15-3 structure
Product Name:(5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one
CAS No:72362-15-3
MF:C13H14N2O5
MW:278.260663509369
CID:1755105
PubChem ID:6440466
Update Time:2025-04-21

(5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one Chemical and Physical Properties

Names and Identifiers

    • (5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one
    • (5Z)-3-(hydroxymethyl)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
    • 1-[[(2E)-1,5-Dihydro-4-hydroxymethyl-1-methyl-5-oxo-2H-pyrrol-2-ylidene]acetyl]-1,5-dihydro-4-methoxy-2H-pyrrol-2-one
    • DTXSID701046181
    • 72362-15-3
    • 2H-Pyrrol-2-one, 1-((2E)-(1,5-dihydro-4-(hydroxymethyl)-1-methyl-5-oxo-2H-pyrrol-2-ylidene)acetyl)-1,5-dihydro-4-methoxy-
    • Inchi： 1S/C13H14N2O5/c1-14-9(3-8(7-16)13(14)19)4-11(17)15-6-10(20-2)5-12(15)18/h3-5,16H,6-7H2,1-2H3/b9-4-
    • InChI Key： ZNJVDXPVBMPLNR-WTKPLQERSA-N
    • SMILES： O(C)C1=CC(N(C(/C=C2/C=C(CO)C(N/2C)=O)=O)C1)=O

Computed Properties

  • Exact Mass: 278.09032
  • Monoisotopic Mass: 278.09027155g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 573
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 87.2?2

Experimental Properties

  • PSA: 87.15

(5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one Related Literature

Related Categories

72362-15-3 ((5Z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-1,5-dihydro-2H-pyrrol-2-one) Related Products

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