Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2HZ3Z6WB74
EPA CompTox DTXSID30199193

Structure

InChI Key AKVUWTYSNLGBJY-UHFFFAOYSA-N
Smiles CC(=C)C(=O)N1CCOCC1
InChI
InChI=1S/C8H13NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h1,3-6H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N1O2
Molecular Weight 155.09
AlogP 0.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.54
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 5117-13-5
NORMAN SUSDAT
FDA SRS 2HZ3Z6WB74
PubChem 78796
ChemSpider 71133.0