Cas no 731-36-2 (2H-Pyrrole, 4-(diphenylmethylene)-3,4-dihydro-5-methyl-)

2H-Pyrrole, 4-(diphenylmethylene)-3,4-dihydro-5-methyl- structure
731-36-2 structure
Product Name:2H-Pyrrole, 4-(diphenylmethylene)-3,4-dihydro-5-methyl-
CAS No:731-36-2
MF:C18H17N
MW:247.334284543991
CID:542968
PubChem ID:12243344
Update Time:2025-04-19

2H-Pyrrole, 4-(diphenylmethylene)-3,4-dihydro-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyrrole, 4-(diphenylmethylene)-3,4-dihydro-5-methyl-
    • 3-BENZHYDRYLIDENE-2-METHYL-1-PYRROLINE
    • 4-benzhydrylidene-5-methyl-2,3-dihydropyrrole
    • DTXSID10482070
    • 4-(diphenylmethylene)-5-methyl-3,4-dihydro-2-H-Pyrrole
    • 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole
    • E83526
    • 731-36-2
    • Inchi: 1S/C18H17N/c1-14-17(12-13-19-14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
    • InChI Key: IOTANWPGZXCMOF-UHFFFAOYSA-N
    • SMILES: N1=C(C)/C(=C(/C2C=CC=CC=2)\C2C=CC=CC=2)/CC1

Computed Properties

  • Exact Mass: 247.13621
  • Monoisotopic Mass: 247.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 345
  • 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
  • XLogP3: 4
  • Topological Polar Surface Area: 12.4?2

Experimental Properties

  • PSA: 12.36
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