Cas no 33023-11-9 ((1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one)

(1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one structure
33023-11-9 structure
Product Name:(1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS No:33023-11-9
MF:C15H20N2O
MW:244.332103729248
CID:1454506
PubChem ID:442968
Update Time:2025-04-20

(1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one Chemical and Physical Properties

Names and Identifiers

    • (1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
    • NS00094242
    • (1S,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • CHEBI:9601
    • 3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
    • DTXSID70954642
    • 33023-11-9
    • (-)-Tinctorine
    • Tinctorine
    • Inchi： 1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11-,12+,13+/m0/s1
    • InChI Key： VUJISNFQYSHCGH-YNEHKIRRSA-N
    • SMILES： O=C1C=CC=C2[C@@H]3CN(C)[C@H](CC=C)[C@@H](CN21)C3

Computed Properties

  • Exact Mass: 244.1577
  • Monoisotopic Mass: 244.157563266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 438
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • PSA: 23.55

(1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one Related Literature

Related Categories

33023-11-9 ((1S,4R,5R)-3-methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one) Related Products

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