Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7X74XVX6Y8
EPA CompTox DTXSID50866875

Structure

InChI Key GOHZKUSWWGUUNR-UHFFFAOYSA-N
Smiles OCCN1CCN=C1
InChI
InChI=1S/C5H10N2O/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O1
Molecular Weight 114.08
AlogP -0.68
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 35.83
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 695-10-3
NORMAN SUSDAT
FDA SRS 7X74XVX6Y8
PubChem 155133
ChemSpider 136671.0