Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 42564000N8
EPA CompTox DTXSID0041515

Structure

InChI Key LAHLFHOVSWLGHR-UHFFFAOYNA-N
Smiles CCC1COCN1
InChI
InChI=1S/C5H11NO/c1-2-5-3-7-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O1
Molecular Weight 101.08
AlogP 0.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 21.26
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 53019-53-7
NORMAN SUSDAT
FDA SRS 42564000N8
ChemSpider 93646.0