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ScientificNameLabel
Pseudopelletierene
PHCD compound ID : 4446
Chemical Names :
Pseudopelletierene
Molecular Formula : C9H15N1O1
Molecular Weight : 153.115364
More Details :
Names & Synonyms: (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Smiles: O=C1C[C@@H]2CCC[C@H](C1)N2C
InChi : InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+
InChi Key : InChIKey=RHWSKVCZXBAWLZ-OCAPTIKFSA-N
PubChem ID : 6602484
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.053537
Hydrogen bond donor count : 0 Electric dipole moment : 2.501
XLogP : 0.426 VDW volume : 156.657931
Molecular weight : 153.115364 HOMO-LUMO gap : 10.018000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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