Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JG0LD01T90
EPA CompTox DTXSID80162973

Structure

InChI Key AEVSLBGUEKOQEE-UHFFFAOYSA-N
Smiles ON=C(C1CC1)C1CC1
InChI
InChI=1S/C7H11NO/c9-8-7(5-1-2-5)6-3-4-6/h5-6,9H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N1O1
Molecular Weight 125.08
AlogP 1.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.59
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1453-52-7
NORMAN SUSDAT
FDA SRS JG0LD01T90
PubChem 15072
ChemSpider 14344.0