Phthalimidoacetone

Synopsis, Chemistry

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Also known as: 3416-57-7, N-acetonylphthalimide, 2-(2-oxopropyl)isoindoline-1,3-dione, 2-(2-oxopropyl)-1h-isoindole-1,3(2h)-dione, 2-(2-oxopropyl)isoindole-1,3-dione, 1-(n-phthalimidyl)-2-propanone

Molecular Formula

C₁₁H₉NO₃

Molecular Weight

203.19 g/mol

InChI Key

STMRGLKPBJVVEG-UHFFFAOYSA-N

FDA UNII

C4ZC7V7NJ6

1 2D Structure

Phthalimidoacetone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-oxopropyl)isoindole-1,3-dione

2.1.2 InChI

InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3

2.1.3 InChI Key

STMRGLKPBJVVEG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)CN1C(=O)C2=CC=CC=C2C1=O

2.2 Other Identifiers

2.2.1 UNII

C4ZC7V7NJ6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3416-57-7

2. N-acetonylphthalimide

3. 2-(2-oxopropyl)isoindoline-1,3-dione

4. 2-(2-oxopropyl)-1h-isoindole-1,3(2h)-dione

5. 2-(2-oxopropyl)isoindole-1,3-dione

6. 1-(n-phthalimidyl)-2-propanone

7. 1h-isoindole-1,3(2h)-dione, 2-(2-oxopropyl)-

8. Mfcd00088346

9. Nsc-35996

10. N-(2-oxopropyl)phthalimide

11. C4zc7v7nj6

12. 2-(2-oxo-propyl)-isoindole-1,3-dione

13. Nsc35996

14. Phthalimide, N-acetonyl-

15. Unii-c4zc7v7nj6

16. Schembl624540

17. Chembl315571

18. 2-acetonylisoindoline-1,3-dione

19. Stmrglkpbjvveg-uhfffaoysa-

20. Zinc36650

21. Dtxsid40284160

22. Albb-012938

23. Amy30178

24. Stl257200

25. Akos001074246

26. Ab03244

27. Cs-w015465

28. 5(6)-carboxyfluoresceindiacetate

29. Sy051184

30. Db-048576

31. Bb 0258825

32. Ft-0634846

33. Benzo[c]pyrrolidin-2,5-dione, N-acetylmethyl-

34. 3w-0868

35. A822106

36. Ae-641/00649058

37. 2-(2-oxopropyl)-1h-isoindole-1,3(2h)-dione #

38. F3308-2937

39. 2-(2-oxopropyl)-2,3-dihydro-1h-isoindole-1,3-dione

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉NO₃
Molecular Weight	203.19 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.058243149 g/mol
Monoisotopic Mass	203.058243149 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1