Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80174617

Structure

InChI Key CZGXZAVXMRSVLV-UHFFFAOYSA-N
Smiles CC(=C)C(=O)NC(=O)N
InChI
InChI=1S/C5H8N2O2/c1-3(2)4(8)7-5(6)9/h1H2,2H3,(H3,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8N2O2
Molecular Weight 128.06
AlogP 1.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 76.67
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 20602-83-9
NORMAN SUSDAT
PubChem 88613
ChemSpider 79951.0