Cas no 109210-52-8 (Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)-)

Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)- structure
109210-52-8 structure
Product Name:Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)-
CAS No:109210-52-8
MF:C13H16N2O3
MW:248.277743339539
CID:206878
PubChem ID:163797
Update Time:2025-04-19

Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)-
    • 1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
    • 1-acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indole
    • 1-(8a-hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone
    • CHMI
    • Cyclic 2-hydroxymelatonin isomer
    • Pyrrolo(2,3-b)indol-8a(1H)-ol, 1-acetyl-2,3,3a,8-tetrahydro-5-methoxy-
    • 1-(7-methoxy-3a-oxidanyl-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
    • 109210-52-8
    • 1-{8A-HYDROXY-5-METHOXY-1H,2H,3H,3AH,8H,8AH-PYRROLO[2,3-B]INDOL-1-YL}ETHAN-1-ONE
    • A804204
    • Cyclic 3-hydroxymelatonin isomer
    • DTXSID90911030
    • 1-(8a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethan-1-one
    • Inchi： 1S/C13H16N2O3/c1-8(16)15-6-5-11-10-7-9(18-2)3-4-12(10)14-13(11,15)17/h3-4,7,11,14,17H,5-6H2,1-2H3
    • InChI Key： AQOSPGCCTHGZFL-UHFFFAOYSA-N
    • SMILES： OC12C(C3C=C(C=CC=3N1)OC)CCN2C(C)=O

Computed Properties

  • Exact Mass: 248.11618
  • Monoisotopic Mass: 248.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • PSA: 61.8

Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)- Related Literature

Related Categories

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