2-pentenal

Ligand id: 2417

Name: 2-pentenal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 17.07
Molecular weight 84.06
XLogP 1.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-pent-2-enal
Database Links
BindingDB Ligand 50203069
CAS Registry No. 764-39-6 (source: Scifinder)
ChEMBL Ligand CHEMBL256368
PubChem CID 5364752
Search Google for chemical match using the InChIKey DTCCTIQRPGSLPT-ONEGZZNKSA-N
Search Google for chemicals with the same backbone DTCCTIQRPGSLPT
Search UniChem for chemical match using the InChIKey DTCCTIQRPGSLPT-ONEGZZNKSA-N
Search UniChem for chemicals with the same backbone DTCCTIQRPGSLPT