Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QY3BV00PCY
EPA CompTox DTXSID0020363

Structure

InChI Key YGNXYFLJZILPEK-UHFFFAOYSA-N
Smiles ON=C1CCCC1
InChI
InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O1
Molecular Weight 99.07
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1192-28-5
NORMAN SUSDAT
FDA SRS QY3BV00PCY
PubChem 14500
ChemSpider 13844.0