1H-Pyrrole-2,5-dione, 1-(hydroxymethyl)-


Chemical Name: 1H-Pyrrole-2,5-dione, 1-(hydroxymethyl)-
CAS Number: 5063-96-7
Product Number: AG00DBHK(AGN-PC-0JO6Y3)
Synonyms:
MDL No:
Molecular Formula: C5H5NO3
Molecular Weight: 127.0981

Identification/Properties


Computed Properties
Molecular Weight:
127.099g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
127.027g/mol
Monoisotopic Mass:
127.027g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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-(Hydroxymethyl)-1H-pyrrole-2,5-dione, commonly known as pyrrolididone, is a versatile compound widely utilized in chemical synthesis. Its unique structure and reactivity make it a valuable building block for various organic transformations. In the realm of synthetic chemistry, this compound serves as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its hydroxymethyl group offers a handle for further functionalization, allowing chemists to tailor the molecule to meet specific requirements. Pyrrolididone's presence in the synthesis of complex molecules underscores its significance in the field, enabling the construction of diverse molecular architectures with precision and efficiency. Its versatile nature and compatibility with a range of synthetic methodologies make it a valuable asset for researchers and industrial chemists seeking to develop novel compounds with targeted properties.