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Also known as: 49805-30-3, 3-azabicyclo[2.2.1]hept-5-en-2-one, Rac 2-azabicyclo[2.2.1]hept-5-en-3-one, (+/-)-2-azabicyclo[2.2.1]hept-5-en-3-one, (-)-2-azabicyclo[2.2.1]hept-5-en-3-one, Vince lactam
Molecular Formula
C6H7NO
Molecular Weight
109.13  g/mol
InChI Key
DDUFYKNOXPZZIW-UHFFFAOYSA-N

CAS 49805-30-3
1 2D Structure

CAS 49805-30-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-azabicyclo[2.2.1]hept-5-en-3-one
2.1.2 InChI
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)
2.1.3 InChI Key
DDUFYKNOXPZZIW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2C=CC1NC2=O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-abheo

2. 2-azabicyclo(2.2.1)hept-5-en-3-one

3. 6-azabicyclo(3.2.0)hept-3-en-7-one

2.2.2 Depositor-Supplied Synonyms

1. 49805-30-3

2. 3-azabicyclo[2.2.1]hept-5-en-2-one

3. Rac 2-azabicyclo[2.2.1]hept-5-en-3-one

4. (+/-)-2-azabicyclo[2.2.1]hept-5-en-3-one

5. (-)-2-azabicyclo[2.2.1]hept-5-en-3-one

6. Vince Lactam

7. Mfcd00211274

8. (1s)-(+)-2-azabicyclo[2.2.1]hept-5-en-3-one

9. 2-azabicyclo(2.2.1)hept-5-en-3-one

10. 3-oxo-2-azabicyclo[2.2.1]hept-5-ene

11. Mfcd00211275

12. (+)-2-azabicyclo[2.2.1]hept-5-en-3-one

13. 4-amino-2-cyclopentene-1-carboxylic Acid Lactam

14. Ec 421-830-3

15. (r,s)-2-azabicyclo(2.2.1)hept-5-en-3-one

16. Schembl548616

17. (-)-(1r,4s)-2-azabicyclo[2.2.1]hept-5-en-3-one

18. Dtxsid40868505

19. Act01813

20. Mfcd00213364

21. Azabicyclo[2.2.1]hept-5-en-3-one

22. Akos006223009

23. Ac-6114

24. Cs-w019811

25. Sb11075

26. Sb18483

27. Sb18484

28. Ds-11069

29. Sy004961

30. Sy096758

31. 2-azabicyclo[2.2.1]hept-5-en-3-one #

32. Db-005189

33. A1359

34. Ft-0600312

35. Ft-0601151

36. Ft-0643143

37. En300-82926

38. (-)-2-azabicyclo [2.2.1] Hept-5-en-3one

39. (-)-2-azabicyclo [2.2.1]hept-5-en-3-one

40. (-)-2-azabicyclo[2,2,1]hept-5-en-3-one

41. Racemic 2-aza Bicyclo[2.2.1]hept-5-ene-3-one

42. (+/-)-2-azabicyclo [2.2.1]hept-5-en-3-one

43. (+/-)-2-azabicyclo[2.2.1 ]hept-5-en-3-one

44. 2-azabicyclo[2.2.1]hept-5-en-3-one, (1s)-

45. A827858

46. J-500009

47. J-650014

48. J-650015

49. J-650392

50. Q-200006

51. (1r)-(-)-2-azabicyclo[2,2,1]hept-5-en-3-one

52. 61865-48-3

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 109.13 g/mol
Molecular Formula C6H7NO
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass109.052763847 g/mol
Monoisotopic Mass109.052763847 g/mol
Topological Polar Surface Area29.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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