Ethyl 5-Methylpyrrole-2-carboxylate - CAS 3284-51-3

Catalog:	BB021432
Product Name:	Ethyl 5-Methylpyrrole-2-carboxylate
CAS:	3284-51-3
Synonyms:	5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 5-methyl-1H-pyrrole-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 5-methyl-1H-pyrrole-2-carboxylate
Description:	Ethyl 5-Methylpyrrole-2-carboxylate (CAS# 3284-51-3) is a useful research chemical.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	CCOC(=O)C1=CC=C(N1)C
InChI:	InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h4-5,9H,3H2,1-2H3
InChI Key:	RIUNZXNCMZMRMP-UHFFFAOYSA-N
Boiling Point:	264.9 °C at 760 mmHg
Density:	1.106 g/cm³
MDL:	MFCD01006731
LogP:	1.49980

Publication Number	Title	Priority Date
WO-2021110574-A1	Alkynyl-(heteroaryl)-carboxamide hcn1 inhibitors	20191202
TW-202035409-A	Monoacylglycerol lipase modulators	20180928
US-2021040127-A1	Arginase inhibitors and methods of use	20180313
US-2021009621-A1	Aminocoumarin compounds and methods of their use	20180312
EP-3643717-A1	7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method therefor and uses thereof	20170623

PMID	Publication Date	Title	Journal
21836994	20110701	Ethyl 5-methyl-1H-pyrrole-2-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7