Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID60967367

Structure

InChI Key HQSKZPOVBDNEGN-MYZSUADSSA-N
Smiles C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4
InChI
InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12+,14-,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O
Molecular Weight 246.17
AlogP 1.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 23.55
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 529-80-6
NORMAN SUSDAT
PubChem 442957
ChemSpider 391260.0