Cas no 2031259-02-4 (3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride)

3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride structure
2031259-02-4 structure
Product Name:3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride
CAS No:2031259-02-4
MF:C10H19ClN2O
MW:218.723661661148
MDL:MFCD30345251
CID:4633927
PubChem ID:134690764
Update Time:2025-07-23

3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-amino-1-cyclohexylpyrrolidin-2-one hydrochloride
    • 3-amino-1-cyclohexylpyrrolidin-2-one;hydrochloride
    • 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride
    • MDL: MFCD30345251
    • Inchi: 1S/C10H18N2O.ClH/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8;/h8-9H,1-7,11H2;1H
    • InChI Key: TVPCXFPTSQLGBN-UHFFFAOYSA-N
    • SMILES: Cl.O=C1C(CCN1C1CCCCC1)N

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 199
  • Topological Polar Surface Area: 46.3

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Additional information on 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride

Comprehensive Overview of 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride (CAS No. 2031259-02-4)

3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride (CAS No. 2031259-02-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, characterized by its unique pyrrolidin-2-one backbone and cyclohexyl substituent, is widely studied for its potential applications in drug discovery and development. Researchers are particularly interested in its structural properties, which make it a promising candidate for modulating biological targets.

The 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride structure features an amino group at the 3-position, enhancing its reactivity and enabling diverse chemical modifications. This adaptability is crucial for designing novel therapeutic agents, especially in the fields of central nervous system (CNS) disorders and metabolic diseases. Recent studies highlight its role in inhibiting specific enzymes or receptors, aligning with current trends in precision medicine and targeted therapy.

In the context of AI-driven drug discovery, 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride exemplifies how computational models can predict molecular interactions. Platforms like AlphaFold and molecular docking simulations are increasingly used to optimize such compounds, addressing common search queries like "best small molecules for CNS targets" or "how to improve drug bioavailability." These advancements underscore the compound's relevance in modern research.

From a synthetic chemistry perspective, the hydrochloride salt form (2031259-02-4) improves solubility and stability, critical factors for in-vivo applications. This aligns with industry demands for bioavailable scaffolds, a frequently searched topic among chemists. The compound's cyclohexyl group also contributes to lipophilicity, a property often explored in forums discussing "optimizing drug penetration across the blood-brain barrier."

Environmental and safety considerations are equally important. While not classified as hazardous, proper handling of 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride is essential to ensure workplace safety. This resonates with trending searches on "green chemistry alternatives" and "sustainable lab practices," reflecting the scientific community's shift toward eco-friendly methodologies.

In summary, 3-Amino-1-cyclohexylpyrrolidin-2-one hydrochloride (CAS No. 2031259-02-4) represents a versatile building block in medicinal chemistry. Its integration with AI-powered research tools and alignment with patient-centric drug design trends positions it as a compound of enduring interest. As the pharmaceutical landscape evolves, this molecule continues to inspire innovations addressing unmet medical needs.

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