Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 89HYM37372
EPA CompTox DTXSID0027228

Structure

InChI Key CFEYBLWMNFZOPB-UHFFFAOYSA-N
Smiles C=CCCC#N
InChI
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1
Molecular Weight 81.06
AlogP 1.48
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 592-51-8
NORMAN SUSDAT
FDA SRS 89HYM37372
PubChem 11604
ChemSpider 7713.0