Methyl 7-Methylindole-5-carboxylate - CAS 180624-25-3

Catalog:	BB013729
Product Name:	Methyl 7-Methylindole-5-carboxylate
CAS:	180624-25-3
Synonyms:	7-methyl-1H-indole-5-carboxylic acid methyl ester; methyl 7-methyl-1H-indole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 7-methyl-1H-indole-5-carboxylate
Description:	Methyl 7-Methylindole-5-carboxylate (CAS# 180624-25-3) is a useful research chemical.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=C2C(=CC(=C1)C(=O)OC)C=CN2
InChI:	InChI=1S/C11H11NO2/c1-7-5-9(11(13)14-2)6-8-3-4-12-10(7)8/h3-6,12H,1-2H3
InChI Key:	MGOHUBDYDVDLNT-UHFFFAOYSA-N
Boiling Point:	345.121 °C at 760 mmHg
Density:	1.213 g/cm³
LogP:	2.26290

Publication Number	Title	Priority Date
TW-201427945-A	Carboxyamine derivatives as P2X7 receptor antagonists	20121218
TW-201427944-A	Carboxyamine derivatives as P2X7 receptor antagonists	20121212
TW-201313702-A	Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors	20110930
AU-2011307252-A1	Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors	20100927
AU-2011307252-B2	Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors	20100927

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Related Functional Groups

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[20776-45-8]
5-Benzyloxytryptamine
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate

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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3