3-Pyrroline-2-one - CAS 4031-15-6

Catalog:	BB024441
Product Name:	3-Pyrroline-2-one
CAS:	4031-15-6
Synonyms:	1,2-dihydropyrrol-5-one; 1,2-dihydropyrrol-5-one

Technical Data

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Computed Properties

IUPAC Name:	1,2-dihydropyrrol-5-one
Description:	3-Pyrroline-2-one (CAS# 4031-15-6) is an oxo analogue and oxidation product of pyrrole.
Molecular Weight:	83.09
Molecular Formula:	C4H5NO
Canonical SMILES:	C1C=CC(=O)N1
InChI:	InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)
InChI Key:	CDCHBOQVXIGZHA-UHFFFAOYSA-N
Appearance:	Powder or light yellow liquid
LogP:	0.00120

Publication Number	Title	Priority Date
CN-112694430-A	Preparation method of 1, 5-dihydro-2H-pyrrole-2-ketone compound	20201222
WO-2021160109-A1	Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof	20200213
WO-2021083167-A1	Substituted heterocyclic fused cyclic compound, preparation method therefor and pharmaceutical use thereof	20191030
WO-2021055849-A1	Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents	20190919
CN-110590636-A	4-sulfonyl pyrrolidone compound and synthesis method thereof	20190910

PMID	Publication Date	Title	Journal
22937903	20120921	A formal enantioselective total synthesis of FR901483	Organic letters
22249121	20120201	Identification of Trypanosoma brucei leucyl-tRNA synthetase inhibitors by pharmacophore- and docking-based virtual screening and synthesis	Bioorganic & medicinal chemistry
19969458	20100115	Evaluation of pyrrolin-2-one derivatives synthesized by a new practical method as inhibitors of plasminogen activator inhibitor-1 (PAI-1)	Bioorganic & medicinal chemistry letters
19746925	20091002	Enantioselective synthesis of the R-enantiomer of the feeding deterrent (S)-ypaoamide	The Journal of organic chemistry
19721260	20090901	Synthesis and evaluation of pyrrolin-2-one compounds, a series of plasminogen activator inhibitor-1 inhibitors	Chemical & pharmaceutical bulletin

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Related Functional Groups

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[54278-10-3]
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[168102-05-4]
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[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[2051-97-0]
N-Benzylpyrrole
[73286-71-2]
N-Boc-2,3-dihydro-1H-pyrrole
[117657-37-1]
N-Boc-2-bromopyrrole

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Complexity:	95.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	83.037113783
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	83.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4