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2D Structure
Also known as: 151213-40-0, (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine, (s,s)-2,8-diazabicyclo [4,3,0]nonane, (s,s)-2,8-diazabicyclo[4.3.0]nonane, 151213-42-2, (1s,6s)-2,8-diazabicyclo[4.3.0]nonane
Molecular Formula
C7H14N2
Molecular Weight
126.20  g/mol
InChI Key
KSCPLKVBWDOSAI-NKWVEPMBSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
2.1.2 InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m0/s1
2.1.3 InChI Key
KSCPLKVBWDOSAI-NKWVEPMBSA-N
2.1.4 Canonical SMILES
C1CC2CNCC2NC1
2.1.5 Isomeric SMILES
C1C[C@H]2CNC[C@H]2NC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 151213-40-0

2. (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine

3. (s,s)-2,8-diazabicyclo [4,3,0]nonane

4. (s,s)-2,8-diazabicyclo[4.3.0]nonane

5. 151213-42-2

6. (1s,6s)-2,8-diazabicyclo[4.3.0]nonane

7. (4as,7as)-2,3,4,4a,5,6,7,7a-octahydro-1h-pyrrolo[3,4-b]pyridine

8. 1h-pyrrolo[3,4-b]pyridine, Octahydro-, (4as,7as)-

9. [s,s]-2,8-diazabicyclo[4,3,0]nonane

10. (4as,7as)-1h-octahydropyrrolo[3,4-b]pyridine

11. Mfcd08458306

12. Schembl606385

13. Chembl4519880

14. Amy30084

15. Bcp28309

16. Ac-313

17. Fd6047

18. Zinc38338210

19. Cis-2,8-diazabicyclo[4.3.0]nonane

20. Akos015854365

21. Cs-w013491

22. Ac-24293

23. As-13398

24. D4210

25. En300-84574

26. 213d400

27. A809136

28. (1s,6s)-2,8-diazabicyclo[4.3.0]nonane, 97%

29. J-520093

30. Octahydro-pyrrolo[3,4-b]pyridine;(s,s)-2,8-diazabicyclo [4,3,0]nonane

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 126.20 g/mol
Molecular Formula C7H14N2
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.115698455 g/mol
Monoisotopic Mass126.115698455 g/mol
Topological Polar Surface Area24.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1