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2D Structure
Also known as: 5063-03-6, 5-acetyl-2-norbornene, 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone, Methyl 5-norbornen-2-yl ketone, 5-acetylbicyclo[2.2.1]hept-2-ene, Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-
Molecular Formula
C9H12O
Molecular Weight
136.19  g/mol
InChI Key
NIMLCWCLVJRPFY-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
2.1.2 InChI
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
2.1.3 InChI Key
NIMLCWCLVJRPFY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1CC2CC1C=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5063-03-6

2. 5-acetyl-2-norbornene

3. 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone

4. Methyl 5-norbornen-2-yl Ketone

5. 5-acetylbicyclo[2.2.1]hept-2-ene

6. Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-

7. 1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

8. 1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one

9. Mfcd00167570

10. 5-acetylnorbornene

11. Methyl (8,9,10-trinorborn-5-en-2-yl) Ketone

12. 2-acetyl-5-norbornene, Mixture Of Endo And Exo

13. 1-[(1r,2r,4r)-bicyclo[2.2.1]hept-5-en-2-yl]ethan-1-one

14. Schembl301403

15. Nimlcwclvjrpfy-uhfffaoysa-

16. Dtxsid50964865

17. Amy32005

18. Einecs 225-767-0

19. Stl363939

20. Akos000121432

21. Akos016347360

22. Akos025243982

23. Ac-4859

24. As-49964

25. Bicyclo[2.2.1]hept-2-ene, 5-acetyl-

26. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-

27. Sy015353

28. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone

29. Db-020334

30. 1-(6-bicyclo[2.2.1]hept-2-enyl)ethanone

31. Ft-0619931

32. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone #

33. O10317

34. Ethanone, 1-[bicyclo[2.2.1]hept-5-en-2-yl]-

35. J-650008

36. J-650394

37. F0001-1321

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 136.19 g/mol
Molecular Formula C9H12O
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002 g/mol
Monoisotopic Mass136.088815002 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1