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

Structure

InChI Key PHGAOXNFCZKFTR-UHFFFAOYSA-N
Smiles O=C1NCCCC1C
InChI
InChI=1/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NO
Molecular Weight 113.08
AlogP 1.37
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3768-43-2
NORMAN SUSDAT
PubChem 107169