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Home> Hot Product Listed 1   > (1S, 2S, 5R, 7S)-2,8,8,TRIMETHYL-3-AZATRICYCLO[5.1.1.0(2,5)]NONANE-4-ONE
328010-05-5 structure

(1S, 2S, 5R, 7S)-2,8,8,TRIMETHYL-3-AZATRICYCLO[5.1.1.0(2,5)]NONANE-4-ONE

CAS No.:328010-05-5
Molecular Weight:179.263
Molecular Formula:C11H17NO (isomer)
Names and Identifiers
Synonyms

(1s, 2s, 5r, 7s)-2,8,8,trimethyl-3-azatricyclo[5.1.1.0{2,5}]nonane-4-one (1s,2s,5r,7s)-2,8,8-trimethyl-3-azatricyclo[5.1.1.0~2,5~]nonan-4-one DTXSID50650135 SCHEMBL3375445

Inchi
InChI=1S/C11H17NO/c1-10(2)6-4-7-9(13)12-11(7,3)8(10)5-6/h6-8H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8+,11-/m1/s1
InChkey
KUAXJPRPFKYSME-OFHVYEONSA-N
Canonical Smiles
CC1(C2CC3C(=O)NC3(C1C2)C)C
Computational chemical data
  • Molecular Weight:179.263g/mol
  • Molecular Formula:C11H17NO
  • Compound Is Canonicalized:True
  • Exact Mass:179.131
  • Monoisotopic Mass:179.131
  • Complexity:297
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:4
  • 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: AAADceByIAAAAAAAAAAAAAAAAAB4gAAAAAAwYAAAAAAWAAAAAAAAHgAQAAAAD4iBgAACAALAAAAI AAEQEAAAAAAAAAAAAAEAAAAAABoAgAAEAAAAFACAAAEYiMCPgAAAAAAAAACQAASAACQAAAAAAAAA AA==
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