Cas no 98426-29-0 (Proline, 4-allyl- (6CI))

Proline, 4-allyl- (6CI) structure
Proline, 4-allyl- (6CI) structure
Product Name:Proline, 4-allyl- (6CI)
CAS No:98426-29-0
MF:C8H13NO2
MW:155.194322347641
CID:801775
PubChem ID:69776561
Update Time:2025-04-19

Proline, 4-allyl- (6CI) Chemical and Physical Properties

Names and Identifiers

    • Proline, 4-allyl- (6CI)
    • SCHEMBL6425182
    • 4-Prop-2-en-1-yl-L-proline
    • 98426-29-0
    • DTXSID20741307
    • Inchi: 1S/C8H13NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2,6-7,9H,1,3-5H2,(H,10,11)/t6?,7-/m0/s1
    • InChI Key: JMWRIQIIDLNILM-MLWJPKLSSA-N
    • SMILES: OC([C@@H]1CC(CC=C)CN1)=O

Computed Properties

  • Exact Mass: 155.094628657g/mol
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.4
  • Topological Polar Surface Area: 49.3?2
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