CAS 16078-30-1 | Ethanone, 1-(2,3-dihydro-1H-indol-1-yl)- | CAS Number 16078-30-1

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16078-30-1 | Ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-

CAS No: 16078-30-1 Catalog No: AG001VCG MDL No:MFCD00022908

Product Description

Catalog Number:

AG001VCG

Chemical Name:

Ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-

CAS Number:

16078-30-1

Molecular Formula:

C10H11NO

Molecular Weight:

161.2004

MDL Number:

MFCD00022908

IUPAC Name:

1-(2,3-dihydroindol-1-yl)ethanone

InChI:

InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3

InChI Key:

RNTCWULFNYNFGI-UHFFFAOYSA-N

SMILES:

CC(=O)N1CCc2c1cccc2

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.204g/mol

Monoisotopic Mass:

161.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
(RS)-1-[5-(2-Chloro-prop-yl)indolin-1-yl]ethanone.	Acta crystallographica. Section E, Structure reports online 20110101
(RS)-1-(1-Acetyl-indolin-5-yl)-2-chloro-propan-1-one.	Acta crystallographica. Section E, Structure reports online 20100701
1-Acetyl-5,6-dimethoxy-indoline at 123 K.	Acta crystallographica. Section E, Structure reports online 20080701