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Home> Hot Product Listed S   > STOCK6S-94727
53619-11-7 structure

STOCK6S-94727

Iupac Name:1,4-diazabicyclo[3.2.2]nonan-3-one
CAS No.:53619-11-7
Molecular Weight:140.186
Molecular Formula:C13H18BFO3 (isomer)
Names and Identifiers
Synonyms

2-(morpholin-4-yl)-5-(pyridin-2-yl)-3h-pyrido[2,3-d]pyrimidin-4-one 2-(morpholin-4-yl)-5-(pyridin-2-yl)pyrido[2,3-d]pyrimidin-4-ol AKOS003182150 AKOS005670997 BG00638780 BG02120608 CHEMBL3443507 MCULE-3112114438 MOLPORT-006-334-957 MOLPORT-008-343-441 STK941988 ZINC36367308

Inchi
InChI=1S/C7H12N2O/c10-7-5-9-3-1-6(8-7)2-4-9/h6H,1-5H2,(H,8,10)
InChkey
VCIKVHACZDLJCT-UHFFFAOYSA-N
Canonical Smiles
C1CN2CCC1NC(=O)C2
Properties
Refractive Index
1.55
Computational chemical data
  • Molecular Weight:140.186g/mol
  • Molecular Formula:C13H18BFO3
  • Compound Is Canonicalized:True
  • Exact Mass:140.095
  • Monoisotopic Mass:140.095
  • Complexity:150
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAABYsAAAAAAAAAHgAQAAAACCjBgAQAAAPAAAAI AAEQEAAAAAAAAAAAAICIAAAAQAIAwCAUAAAAFgCAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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