VINYLBITAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3W58ITX06Q

Structure

InChI Key KGKJZEKQJQQOTD-UHFFFAOYSA-N
Smiles O=C1NC(=O)C(C=C)(C(=O)N1)C(C)CCC
InChI
InChI=1/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O3
Molecular Weight 224.12
AlogP 2.64
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 82.25
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 2430-49-1
NORMAN SUSDAT
FDA SRS 3W58ITX06Q
PubChem 72135
CONTENTS