Structure

InChI Key LPIQIQPLUVLISR-UHFFFAOYSA-N
Smiles CC(=C)C1=NCCO1
InChI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9NO
Molecular Weight 111.07
AlogP 0.99
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 21.59
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 10471-78-0
NORMAN SUSDAT
FDA SRS 1222UHN97L
PubChem 82651