1-(5-Amino-1-methyl-3-indolyl)ethanone - CAS 634182-57-3

Catalog:	BB032133
Product Name:	1-(5-Amino-1-methyl-3-indolyl)ethanone
CAS:	634182-57-3
Synonyms:	1-(5-amino-1-methyl-3-indolyl)ethanone; 1-(5-amino-1-methylindol-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(5-amino-1-methylindol-3-yl)ethanone
Description:	1-(5-Amino-1-methyl-3-indolyl)ethanone (CAS# 634182-57-3 ) is a useful research chemical.
Molecular Weight:	188.23
Molecular Formula:	C11H12N2O
Canonical SMILES:	CC(=O)C1=CN(C2=C1C=C(C=C2)N)C
InChI:	InChI=1S/C11H12N2O/c1-7(14)10-6-13(2)11-4-3-8(12)5-9(10)11/h3-6H,12H2,1-2H3
InChI Key:	JEFJEDJWDIQZNG-UHFFFAOYSA-N
LogP:	2.54430

Publication Number	Title	Priority Date
US-2010113520-A1	Kinase knockdown via electrophilically enhanced inhibitors	20081105
US-2012028981-A1	Kinase Knockdown Via Electrophilically Enhanced Inhibitors	20081105
WO-2010054107-A2	Kinase knockdown via electrophilically enhanced inhibitors	20081105
US-2003232843-A1	(1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands	20020510
US-6951881-B2	(1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands	20020510

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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.094963011
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	48
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3