Cas no 1000577-71-8 (Octahydropyrrolo1,2-a1,4diazepin-5-one)

Octahydropyrrolo1,2-a1,4diazepin-5-one structure
1000577-71-8 structure
Product Name:Octahydropyrrolo1,2-a1,4diazepin-5-one
CAS No:1000577-71-8
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD09878662
CID:3160688
PubChem ID:44630651
Update Time:2025-09-17

Octahydropyrrolo1,2-a1,4diazepin-5-one Chemical and Physical Properties

Names and Identifiers

    • Octahydropyrrolo[1,2-a][1,4]diazepin-5-one
    • octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-5-one
    • Octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one
    • Hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-5(2H)-one
    • SCHEMBL15798343
    • 1000577-71-8
    • 1,2,3,4,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-5-one
    • SY098885
    • AKOS006314523
    • P10821
    • 5H-Pyrrolo[1,2-a][1,4]diazepin-5-one, octahydro-
    • MFCD09878662
    • AS-50660
    • SB10980
    • CS-0048777
    • Octahydropyrrolo1,2-a1,4diazepin-5-one
    • MDL: MFCD09878662
    • Inchi: 1S/C8H14N2O/c11-8-3-4-9-6-7-2-1-5-10(7)8/h7,9H,1-6H2
    • InChI Key: AKLGFFJQGYPBOC-UHFFFAOYSA-N
    • SMILES: O=C1CCNCC2CCCN21

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Density: 1.13±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Soluble (185 g/l) (25 o C),

Octahydropyrrolo1,2-a1,4diazepin-5-one Pricemore >>

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