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Home> Hot Product Listed S   > Spiro[benzo[c]thiophene-1(3H),2'-pyrrolidin]-3-one,5-chloro-1'-ethyl-
5368-20-7 structure

Spiro[benzo[c]thiophene-1(3H),2'-pyrrolidin]-3-one,5-chloro-1'-ethyl-

Iupac Name:4-methyl-3-phenylpiperazin-2-one
CAS No.:5368-20-7
Molecular Weight:190.246
Molecular Formula:C13H21N3O3 (isomer)
Names and Identifiers
Synonyms

5-Chloro-1' 6-chloro-1' AC1MIGST -ethyl- -ethylspiro(benzo(c)thiophene-1(3H),2' -ethylspiro[2-benzofuran-3,2' LS-145922 -pyrrolidin)-3-one -pyrrolidin)-3-one, 5-chloro-1' -pyrrolidine]-1-thione Spiro(benzo(c)thiophene-1(3H),2'

Inchi
InChI=1S/C11H14N2O/c1-13-8-7-12-11(14)10(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,14)
InChkey
KUVJOLVZDVEQGN-UHFFFAOYSA-N
Canonical Smiles
CN1CCNC(=O)C1C2=CC=CC=C2
Properties
Density
1.142
Refractive Index
1.539
Computational chemical data
  • Molecular Weight:190.246g/mol
  • Molecular Formula:C13H21N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:190.111
  • Monoisotopic Mass:190.111
  • Complexity:211
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADCjBmAQyAIPAAACI AiFSEACCAAAgAAAIiIGIBIgIYDKAlTGUIAhglgCIiAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-571-88938639
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  • Tel:86-27-87465837
  • Fax:86-27-87772287
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  • Tel:86-21-68404353-215
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