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Home> Hot Product Listed T   > T5511183
1008688-67-2 structure

T5511183

Iupac Name:N-(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)acetamide
CAS No.:1008688-67-2
Molecular Weight:246.31
Molecular Formula:C15H11N3OS (isomer)
Names and Identifiers
Synonyms

2-{4-[2-(2,3-dihydro-1h-inden-5-yloxy)acetyl]piperazin-1-yl}-2-(4-methoxyphenyl)acetonitrile MCULE-6981646499 MOLPORT-009-136-883 Z118259750

Inchi
InChI=1S/C14H18N2O2/c1-4-7-16-12-6-5-9(2)8-11(12)13(14(16)18)15-10(3)17/h5-6,8,13H,4,7H2,1-3H3,(H,15,17)
InChkey
DVINISLYLWCLNH-UHFFFAOYSA-N
Canonical Smiles
CCCN1C2=C(C=C(C=C2)C)C(C1=O)NC(=O)C
Computational chemical data
  • Molecular Weight:246.31g/mol
  • Molecular Formula:C15H11N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:246.137
  • Monoisotopic Mass:246.137
  • Complexity:343
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:18
  • 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
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