3-Cyclopentenecarboxamide - CAS 50494-42-3
Catalog: |
BB027080 |
Product Name: |
3-Cyclopentenecarboxamide |
CAS: |
50494-42-3 |
Synonyms: |
1-cyclopent-3-enecarboxamide; cyclopent-3-ene-1-carboxamide |
IUPAC Name: | cyclopent-3-ene-1-carboxamide |
Description: | 3-Cyclopentenecarboxamide (CAS# 50494-42-3) is used as a reactant in the preparation of 1,2,3,4-tetrahydroisoquinoline derivs. as partial agonists and/or antagonists of peroxisome proliferator-activated receptor (PPAR-γ). |
Molecular Weight: | 111.14 |
Molecular Formula: | C6H9NO |
Canonical SMILES: | C1C=CCC1C(=O)N |
InChI: | InChI=1S/C6H9NO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,7,8) |
InChI Key: | XVPVECZALBQBJX-UHFFFAOYSA-N |
Boiling Point: | 271.9 ℃ at 760 mmHg |
Density: | 1.106 g/cm3 |
LogP: | 1.13820 |
Publication Number | Title | Priority Date |
AU-2012267622-A1 | Metabotropic glutamate receptor 5 modulators and methods of use thereof | 20110608 |
AU-2012226586-B2 | Compounds and methods for improving impaired endogenous fibrinolysis using histone deacetylase inhibitors | 20110309 |
AU-2017203028-A1 | Compounds and methods for improving impaired endogenous fibrinolysis using histone deacetylase inhibitors | 20110309 |
AU-2017203028-B2 | Compounds and methods for improving impaired endogenous fibrinolysis using histone deacetylase inhibitors | 20110309 |
EP-2683371-A1 | Compounds and methods for improving impaired endogenous fibrinolysis using histone deacetylase inhibitors | 20110309 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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