4-Methoxy-3-pyrrolin-2-one - CAS 69778-83-2

Catalog:	BB033969
Product Name:	4-Methoxy-3-pyrrolin-2-one
CAS:	69778-83-2
Synonyms:	3-methoxy-1,2-dihydropyrrol-5-one

Technical Data

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Computed Properties

IUPAC Name:	3-methoxy-1,2-dihydropyrrol-5-one
Description:	4-Methoxy-3-pyrrolin-2-one (CAS# 69778-83-2) is a useful reagent for double-strand DNA cleavage by copper prodigiosin.
Molecular Weight:	113.11
Molecular Formula:	C5H7NO2
Canonical SMILES:	COC1=CC(=O)NC1
InChI:	InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
InChI Key:	TXKQBYYDTLOLHA-UHFFFAOYSA-N
Boiling Point:	349.6 °C at 760 mmHg
Melting Point:	130-133 °C
Purity:	95 %
Density:	1.16 g/cm³
Appearance:	White to yellow-beige crystals or crystalline powder
MDL:	MFCD00071564
LogP:	-0.02470

Publication Number	Title	Priority Date
WO-2021063967-A1	Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20191001
WO-2016176450-A1	Tambjamines and b-ring functionalized prodiginines	20150430
AU-2015317824-A1	Pyrazole derivatives as sGC stimulators	20140917
CA-2959757-A1	Pyrazole derivatives as sgc stimulators	20140917
EP-3194382-A1	Pyrazole derivatives as sgc stimulators	20140917

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Related Functional Groups

Pyrrolines

[69778-83-2]
4-Methoxy-3-pyrrolin-2-one
[872-32-2]
2-Methyl-1-pyrroline
[19805-75-5]
2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide
[59480-92-1]
2,5-Dimethyl-3-pyrroline, mixture of cis and trans
[109-96-6]
3-Pyrroline
[63468-63-3]
3-Pyrroline Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.047678466
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7