Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FCR3W52974
EPA CompTox DTXSID9063459

Structure

InChI Key VLRQRRQHXZCEDL-UHFFFAOYSA-N
Smiles N#CC=C1CCCCC1
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N1
Molecular Weight 121.09
AlogP 2.4
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4435-18-1
NORMAN SUSDAT
FDA SRS FCR3W52974
PubChem 97105
ChemSpider 87654.0