Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-norpinanone
ScientificNameLabel
2-norpinanone
PHCD compound ID :
2933
Chemical Names :
2-norpinanone
Molecular Formula :
C7H10O1
Molecular Weight :
110.073165
More Details :
Names & Synonyms:
norpinan-2-one , 4-bicyclo[3.1.1]heptanone , bicyclo[3.1.1]heptan-4-one
Smiles:
O=C1CC[C@H]2C[C@@H]1C2
InChi :
InChI=1S/C7H10O/c8-7-2-1-5-3-6(7)4-5/h5-6H,1-4H2/t5-,6+
InChi Key :
InChIKey=PMAXNHPFNDQMAO-OLQVQODUSA-N
PubChem ID :
548958
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.955216
Hydrogen bond donor count :
0
Electric dipole moment :
3.429
XLogP :
0.812
VDW volume :
111.069202
Molecular weight :
110.073165
HOMO-LUMO gap :
10.817000
Herb list :
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us