Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B583WQ3CTL
EPA CompTox DTXSID90234559

Structure

InChI Key HFSWPCFMUVLFTM-UHFFFAOYSA-N
Smiles CCCCCCN1CC(=O)NC1=O
InChI
InChI=1S/C9H16N2O2/c1-2-3-4-5-6-11-7-8(12)10-9(11)13/h2-7H2,1H3,(H,10,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2O2
Molecular Weight 184.12
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 85391-25-9
NORMAN SUSDAT
FDA SRS B583WQ3CTL
PubChem 3020625
ChemSpider 2287465.0