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Also known as: 516-12-1, 1-iodopyrrolidine-2,5-dione, Succiniodimide, 2,5-pyrrolidinedione, 1-iodo-, N-iodosuccinimide (nis), N-iodo succinimide
Molecular Formula
C4H4INO2
Molecular Weight
224.98  g/mol
InChI Key
LQZMLBORDGWNPD-UHFFFAOYSA-N
FDA UNII
3COS3X3N4P

CAS 516-12-1
1 2D Structure

CAS 516-12-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodopyrrolidine-2,5-dione
2.1.2 InChI
InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
2.1.3 InChI Key
LQZMLBORDGWNPD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)N(C1=O)I
2.2 Other Identifiers
2.2.1 UNII
3COS3X3N4P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 516-12-1

2. 1-iodopyrrolidine-2,5-dione

3. Succiniodimide

4. 2,5-pyrrolidinedione, 1-iodo-

5. N-iodosuccinimide (nis)

6. N-iodo Succinimide

7. Nis

8. 1-iodo-2,5-pyrrolidinedione

9. Mfcd00005512

10. 3cos3x3n4p

11. 1-iodo-pyrrolidine-2,5-dione

12. Succinimide, N-iodo-

13. Einecs 208-221-6

14. Unii-3cos3x3n4p

15. Brn 0113917

16. N-iodsuccinimide

17. N-iodosuccinimid

18. N-iodosuccinirnide

19. N-jod-succinimid

20. N-iodo-succinimide

21. N-iodosuccinic Acid Imide

22. N-iodosuccinimide, 95%

23. N-iodopyrrolidin-2,5-dione

24. Schembl18779

25. 5-21-09-00544 (beilstein Handbook Reference)

26. N-iodosuccinimide [mi]

27. Chebi:53204

28. Dtxsid10199550

29. Act02737

30. Bcp18538

31. Str02991

32. Zinc2141015

33. Ac-534

34. Stl191537

35. Akos009156901

36. Cs-w008878

37. Pb48800

38. Bp-21328

39. Sy001605

40. Db-016426

41. Am20100260

42. Ft-0632267

43. I0074

44. N-iodosuccinimide, Purum, >=97.0% (rt)

45. 16i121

46. P16496

47. A828685

48. W-202947

49. Q27124017

50. F0001-1344

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 224.98 g/mol
Molecular Formula C4H4INO2
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass224.92868 g/mol
Monoisotopic Mass224.92868 g/mol
Topological Polar Surface Area37.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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