Cas no 101681-81-6 (5-methoxy-1H-Indole-2-carbonitrile)

5-methoxy-1H-Indole-2-carbonitrile structure
101681-81-6 structure
Product Name:5-methoxy-1H-Indole-2-carbonitrile
CAS No:101681-81-6
MF:C10H8N2O
MW:172.18332195282
CID:1096406
PubChem ID:11062865
Update Time:2025-04-20

5-methoxy-1H-Indole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-methoxy-1H-Indole-2-carbonitrile
    • 101681-81-6
    • SCHEMBL1429200
    • HLUIAVJOEJUQAA-UHFFFAOYSA-N
    • 5-Methoxy-(1H)-indole-2-carbonitrile
    • Inchi： 1S/C10H8N2O/c1-13-9-2-3-10-7(5-9)4-8(6-11)12-10/h2-5,12H,1H3
    • InChI Key： HLUIAVJOEJUQAA-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC2=C(C=1)C=C(C#N)N2

Computed Properties

  • Exact Mass: 172.063663g/mol
  • Monoisotopic Mass: 172.063663g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 172.18g/mol
  • XLogP3: 2.1
  • Topological Polar Surface Area: 48.8?2

5-methoxy-1H-Indole-2-carbonitrile Related Literature

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