Cas no 324570-74-3 (1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI))

1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI) structure
324570-74-3 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI)
CAS No:324570-74-3
MF:C9H13NO
MW:151.205622434616
CID:1017797
PubChem ID:22059241
Update Time:2025-04-20

1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI)
    • 5-methyl-3-propan-2-yl-1H-pyrrole-2-carbaldehyde
    • HQXDSLNUNPRMFK-UHFFFAOYSA-N
    • SCHEMBL6090233
    • DTXSID90622134
    • 3-Isopropyl-5-methylpyrrole-2-carboxaldehyde
    • 3-isopropyl-5-methyl-1h-pyrrole-2-carbaldehyde
    • DB-279850
    • 1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)-
    • 324570-74-3
    • 5-Methyl-3-(propan-2-yl)-1H-pyrrole-2-carbaldehyde
    • Inchi: 1S/C9H13NO/c1-6(2)8-4-7(3)10-9(8)5-11/h4-6,10H,1-3H3
    • InChI Key: HQXDSLNUNPRMFK-UHFFFAOYSA-N
    • SMILES: O=CC1=C(C=C(C)N1)C(C)C

Computed Properties

  • Exact Mass: 151.09979
  • Monoisotopic Mass: 151.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 145
  • 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: 32.9?2

Experimental Properties

  • PSA: 32.86
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