CAS 49805-30-3

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BUILDING BLOCK

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13 Related Intermediates

Chemistry

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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

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 Formula	C₆H₇NO
Molecular Weight	109.13 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	109.052763847 g/mol
Monoisotopic Mass	109.052763847 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1