3-Hydroxy-2-pyrrolidinone - CAS 15116-68-4

Catalog:	BB010635
Product Name:	3-Hydroxy-2-pyrrolidinone
CAS:	15116-68-4
Synonyms:	3-hydroxypyrrolidin-2-one

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Computed Properties

IUPAC Name:	3-hydroxypyrrolidin-2-one
Description:	3-Hydroxy-2-pyrrolidinone (CAS# 15116-68-4 ) is a useful research chemical.
Molecular Weight:	101.10
Molecular Formula:	C4H7NO2
Canonical SMILES:	C1CNC(=O)C1O
InChI:	InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)
InChI Key:	FRKGSNOMLIYPSH-UHFFFAOYSA-N
Boiling Point:	363.637 °C at 760 mmHg
Density:	1.292 g/cm³
LogP:	-0.85690

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
CN-109528711-A	The application of pyrrolidones	20190111

PMID	Publication Date	Title	Journal
16616492	20060615	A practical synthesis of the major 3-hydroxy-2-pyrrolidinone metabolite of a potent CDK2/cyclin A inhibitor	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.047678466
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	101.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9