Cas no 22217-77-2 (2H-Pyrrole, 3,4-dihydro-5-(4-methylphenyl)-)

2H-Pyrrole, 3,4-dihydro-5-(4-methylphenyl)- structure
22217-77-2 structure
Product Name:2H-Pyrrole, 3,4-dihydro-5-(4-methylphenyl)-
CAS No:22217-77-2
MF:C11H13N
MW:159.227622747421
CID:1408161
PubChem ID:12327449
Update Time:2025-04-20

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

Names and Identifiers

    • 2H-Pyrrole, 3,4-dihydro-5-(4-methylphenyl)-
    • NoName_3164
    • 5-(p-Tolyl)-3,4-dihydro-2H-pyrrole
    • SY253294
    • AKOS025213953
    • MFCD28040028
    • DTXSID90902625
    • 22217-77-2
    • Inchi: 1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7H,2-3,8H2,1H3
    • InChI Key: XQWIWECDDSGMPG-UHFFFAOYSA-N
    • SMILES: N1CCCC=1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 159.10489
  • Monoisotopic Mass: 159.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 175
  • 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: 2
  • Topological Polar Surface Area: 12.4?2

Experimental Properties

  • PSA: 12.36
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