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

Structure

InChI Key QDEUCPLXUDTYOV-UHFFFAOYSA-N
Smiles O=C(C=C(NC)C)NC
InChI
InChI=1/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O
Molecular Weight 128.09
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.62
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 85237-86-1
NORMAN SUSDAT
PubChem 3020582