Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E6BPH60G2P
EPA CompTox DTXSID0061323

Structure

InChI Key VAPOFMGACKUWCI-UHFFFAOYSA-N
Smiles C1CC=C(C1)N1CCOCC1
InChI
InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N1O1
Molecular Weight 153.12
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 936-52-7
NORMAN SUSDAT
FDA SRS E6BPH60G2P
PubChem 70294
ChemSpider 63477.0