3-methylidene-6-propan-2-ylpiperazine-2,5-dione


Chemical Name: 3-methylidene-6-propan-2-ylpiperazine-2,5-dione
CAS Number: 25516-00-1
Product Number: AG00BII4(AGN-PC-00AHKI)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



In chemical synthesis, 2,5-Piperazinedione, 3-methylene-6-(1-methylethyl)-, (S)- serves as a versatile building block with unique reactivity and stereochemistry. This compound is commonly utilized as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its structural features make it particularly valuable for creating complex molecular structures with high selectivity and efficiency. By incorporating this compound into synthetic pathways, chemists can access a diverse array of chiral compounds and functionalized materials, enabling the development of innovative and potentially life-changing products.