(4aS,7aS)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one


Chemical Name: (4aS,7aS)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CAS Number: 69042-25-7
Product Number: AG00FGIT(AGN-PC-00HZJM)
Synonyms:
MDL No:
Molecular Formula: C15H19NO
Molecular Weight: 229.31746

Identification/Properties


Computed Properties
Molecular Weight:
229.323g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
229.147g/mol
Monoisotopic Mass:
229.147g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
283
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one, also known as $name$, is a versatile compound widely utilized in chemical synthesis. With its unique structure and reactivity, $name$ serves as a valuable building block in the creation of various organic compounds.One of the key applications of $name$ in chemical synthesis is its role as a precursor in the preparation of heterocyclic compounds. By undergoing selective functional group transformations, $name$ can be transformed into a wide range of structurally diverse molecules with diverse properties and applications. Its cyclopenta[b]pyridine core provides a solid foundation for the construction of complex molecular architectures, making it an indispensable tool in the synthesis of pharmaceuticals, agrochemicals, and materials.Furthermore, the presence of the benzyl group in $name$ offers a handle for further modifications, enabling chemists to tailor the properties of the resulting products for specific applications. Through strategic manipulations of the benzyl moiety, researchers can fine-tune the solubility, stability, and biological activity of the synthesized compounds, paving the way for the development of novel molecules with enhanced functionality.In conclusion, $name$ is a valuable intermediate in chemical synthesis, offering chemists a versatile platform for the construction of diverse organic molecules with tailored properties and applications. Its strategic placement within complex molecular frameworks makes it a valuable tool for the synthesis of biologically active compounds, materials with specific properties, and other valuable products in the field of organic chemistry.