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2D Structure
Also known as: 115956-07-5, (2a,6a,8a,9ab)-hexahydro-8-hydroxy-2,6-methano-2h-quinolizin-3(4h)-one, Endo-hexahydro-8-hydroxy-2,6-methano-2h-quinolizin-3(4h)-one, (3s,7r)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one, Endo-hexahydro-8-hydroxy-2.6- methano-2h-quinolizin-3(4h)-one, Dtxsid90587390
Molecular Formula
C10H15NO2
Molecular Weight
181.23  g/mol
InChI Key
NEDMCWSHHDYQAJ-VGKQMMLZSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one
2.1.2 InChI
InChI=1S/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9?
2.1.3 InChI Key
NEDMCWSHHDYQAJ-VGKQMMLZSA-N
2.1.4 Canonical SMILES
C1C2CC3CC(CC1N3CC2=O)O
2.1.5 Isomeric SMILES
C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 115956-07-5

2. (2a,6a,8a,9ab)-hexahydro-8-hydroxy-2,6-methano-2h-quinolizin-3(4h)-one

3. Endo-hexahydro-8-hydroxy-2,6-methano-2h-quinolizin-3(4h)-one

4. (3s,7r)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one

5. Endo-hexahydro-8-hydroxy-2.6- Methano-2h-quinolizin-3(4h)-one

6. Dtxsid90587390

7. Bcp11431

8. Zinc3777078

9. Akos006289237

10. Akos016009528

11. Akos025401437

12. Zinc100018631

13. Zinc100054775

14. Zinc100087333

15. Zinc110422426

16. Ac-1648

17. 956h075

18. Q-100999

19. (6r,9as)-8-hydroxyhexahydro-2h-2,6-methanoquinolizin-3(4h)-one

20. Endo-hexahydro-8-hydroxy-2,6-methano-2h-quinolizin-3-(4h)-one

21. (2s,6r,8s,9as)-8-hydroxyhexahydro-2h-2,6-methanoquinolizin-3(4h)-one

22. (5s,6r,8s,9as)-8-hydroxyhexahydro-1h-2,6-methanoquinolizin-3(2h)-one

23. 2,6-methano-2h-quinolizin-3(4h)-one,hexahydro-8-hydroxy-, Stereoisomer

2.3 Create Date
2007-09-10
3 Chemical and Physical Properties
Molecular Weight 181.23 g/mol
Molecular Formula C10H15NO2
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass181.110278721 g/mol
Monoisotopic Mass181.110278721 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1