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    N-T-Boc-2,5-Dihydropyrrole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 73286-70-1, N-boc-3-pyrroline, N-boc-2,5-dihydropyrrole, 1-boc-2,5-dihydro-1h-pyrrole, Tert-butyl 2,5-dihydropyrrole-1-carboxylate, N-boc-2,5-dihydro-1h-pyrrole
    Molecular Formula
    C9H15NO2
    Molecular Weight
    169.22  g/mol
    InChI Key
    YEBDZDMYLQHGGZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2,5-dihydropyrrole-1-carboxylate
    2.1.2 InChI
    InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3
    2.1.3 InChI Key
    YEBDZDMYLQHGGZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CC=CC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73286-70-1

    2. N-boc-3-pyrroline

    3. N-boc-2,5-dihydropyrrole

    4. 1-boc-2,5-dihydro-1h-pyrrole

    5. Tert-butyl 2,5-dihydropyrrole-1-carboxylate

    6. N-boc-2,5-dihydro-1h-pyrrole

    7. Tert-butyl 2h-pyrrole-1(5h)-carboxylate

    8. 2,5-dihydro-pyrrole-1-carboxylic Acid Tert-butyl Ester

    9. 1h-pyrrole-1-carboxylic Acid, 2,5-dihydro-, 1,1-dimethylethyl Ester

    10. 2,5-dihydropyrrole-1-carboxylic Acid Tert-butyl Ester

    11. Mfcd01863512

    12. Tert-butyl-2,5-dihydro-1h-pyrrole-1-carboxylate

    13. Schembl222920

    14. N-t-butoxycarbonyl-3-pyrroline

    15. 1-t-butoxycarbonyl-3-pyrroline

    16. Dtxsid60408785

    17. 1-tert-butoxycarbonyl-3-pyrroline

    18. N-(t-butoxycarbonyl)-3-pyrroline

    19. Zinc403226

    20. Act10892

    21. Bcp24358

    22. Cs-d0811

    23. 1-(tert-butoxycarbonyl)-3-pyrroline

    24. N-(tert-butoxycarbonyl)-3-pyrroline

    25. Tert-butyl 3-pyrroline-1-carboxylate

    26. Akos005145537

    27. Akos025243463

    28. Pb34003

    29. Ps-3886

    30. N-boc-2,5-dihydro-1h-pyrrole, 96%

    31. Bp-13132

    32. Db-031069

    33. A9467

    34. Am20100702

    35. B3735

    36. Ft-0649578

    37. En300-50372

    38. Tert-butyl 2,5-dihydro-1h-pyrrole-l-carboxylate

    39. 286b701

    40. A927921

    41. W-203671

    42. 1,1-dimethylethyl 2,5-dihydro-1h-pyrrole-1-carboxylate

    43. 2,5-dihydro-pyrrole-1 -carboxylic Acid Tert-butyl Ester

    44. F0001-1854

    45. Z1245633303

    46. 2-methyl-2-propanyl 2,5-dihydro-1h-pyrrole-1-carboxylate

    47. 2,5-dihydro-1h-pyrrole-1-carboxylic Acid 1,1-dimethylethyl Ester

    48. Tert-butyl 2h-pyrrole-1(5h)-carboxylate;n-boc-2,5-dihydropyrrole

    2.3 Create Date
    2005-09-26
    3 Chemical and Physical Properties
    Molecular Weight 169.22 g/mol
    Molecular Formula C9H15NO2
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass169.110278721 g/mol
    Monoisotopic Mass169.110278721 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity195
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1