Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90960189

Structure

InChI Key NXCYOVQRBLCDPD-UHFFFAOYSA-N
Smiles N1=C(OC(C)CC1(C)C)C(=C)C
InChI
InChI=1/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17NO
Molecular Weight 167.13
AlogP 2.55
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 21.59
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 39575-65-0
NORMAN SUSDAT
PubChem 123484