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

Structure

InChI Key IDBNECMSCRAUNU-UHFFFAOYSA-N
Smiles OC1CN(CC)CC1
InChI
InChI=1/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO
Molecular Weight 115.1
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.47
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 30727-14-1
NORMAN SUSDAT
PubChem 98203