Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70864550

Structure

InChI Key AUZPMUJGZZSMCP-UHFFFAOYSA-N
Smiles N#CCC(=O)N1CCOCC1
InChI
InChI=1/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O2
Molecular Weight 154.07
AlogP -0.24
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 53.33
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 15029-32-0
NORMAN SUSDAT
PubChem 229279