CAS 13861-75-1 | Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one | CAS Number 13861-75-1

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13861-75-1 | Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one

CAS No: 13861-75-1 Catalog No: AG0018V3 MDL No:MFCD11934419

Product Description

Catalog Number:

AG0018V3

Chemical Name:

Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one

CAS Number:

13861-75-1

Molecular Formula:

C10H9NO

Molecular Weight:

159.1846

MDL Number:

MFCD11934419

IUPAC Name:

spiro[1H-indole-3,1'-cyclopropane]-2-one

InChI:

InChI=1S/C10H9NO/c12-9-10(5-6-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)

InChI Key:

LBBWIBWOPGDMAJ-UHFFFAOYSA-N

SMILES:

O=C1Nc2c(C31CC3)cccc2

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.188g/mol

Monoisotopic Mass:

159.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Spiro-[cyclo-propane-1,3'-indolin]-2'-one.	Acta crystallographica. Section E, Structure reports online 20110901
Synthesis of (+/-)-strychnofoline via a highly convergent selective annulation reaction.	Chemistry (Weinheim an der Bergstrasse, Germany) 20061106
Total synthesis of (-)-spirotryprostatin B: synthesis and related studies.	Journal of the American Chemical Society 20050817
First total synthesis of (+/-)-strychnofoline via a highly selective ring-expansion reaction.	Journal of the American Chemical Society 20021218