Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID001003582

Structure

InChI Key RTXGMZRJRSWDRN-UHFFFAOYSA-N
Smiles O=C(N(C=C)CO)C
InChI
InChI=1/C5H9NO2/c1-3-6(4-7)5(2)8/h3,7H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO2
Molecular Weight 115.06
AlogP -0.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 40.54
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 83579-26-4
NORMAN SUSDAT
PubChem 3019208