Structure Database (LMSD)
Common Name
Neopellitorine B
Systematic Name
1-[(2E,4E)-2,4-decadienoyl]piperidine
Synonyms
- Achilleamide
- Iyeremide B
3D model of Neopellitorine B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZPSGREUUQGTKDE-ZICOIJLXSA-N
InChi (Click to copy)
InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
SMILES (Click to copy)
C(/C=C/C=C/CCCCC)(=O)N1CCCCC1
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
1
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
267.57
Topological Polar Surface Area
20.31
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
4.26
Molar Refractivity
73.83
Admin
Created at
15th Feb 2024
Updated at
15th Feb 2024