1-Acetyl-4-aminoindoline - CAS 17274-64-5

Catalog:	BB012848
Product Name:	1-Acetyl-4-aminoindoline
CAS:	17274-64-5
Synonyms:	1-(4-amino-2,3-dihydroindol-1-yl)ethanone; 1-(4-amino-2,3-dihydroindol-1-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(4-amino-2,3-dihydroindol-1-yl)ethanone
Description:	1-Acetyl-4-aminoindoline (CAS# 17274-64-5) is a useful research chemical.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	CC(=O)N1CCC2=C1C=CC=C2N
InChI:	InChI=1S/C10H12N2O/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6,11H2,1H3
InChI Key:	NADMMXZGSDHVNN-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.82400

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
US-2006116368-A1	4-Piperidinecarboxamide modulators of vanilloid VR1 receptor	20041129
WO-2006058338-A2	4 - piperidinecarboxamide derivatives as modulators of vanilloid vr1 receptor	20041129
CH-653021-A5	PIPERIDINO, PIPERAZINO AND HOMOPIPERAZINO DERIVATIVES, N-SUBSTITUTED BY AN AROMATIC HETEROCYCLIC GROUP, THEIR PREPARATION METHOD AND THERAPEUTIC COMPOSITION CONTAINING THEM.	19810424

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6