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

Structure

InChI Key JOAADLZWSUDMHZ-UHFFFAOYSA-N
Smiles ON=C1C(=CCC(C(=C)C)C1)C
InChI
InChI=1/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO
Molecular Weight 165.12
AlogP 2.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.59
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2051-55-0
NORMAN SUSDAT
PubChem 97028