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Also known as: 14805-29-9, Exo-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione, 2,3-norbornanedicarboximide, exo-, Kqp7hxs2r5, (3ar,4s,7r,7as) 4,7-methano-1h-isoindole-1,3(2h)-dione, (3ar,4s,7r,7as)-rel-hexahydro-4,7-methano-1h-isoindole-1,3(2h)-dione
Molecular Formula
C9H11NO2
Molecular Weight
165.19  g/mol
InChI Key
RIVOBMOBWMOLDJ-RNGGSSJXSA-N
FDA UNII
KQP7HXS2R5

CAS 14805-29-9
1 2D Structure

CAS 14805-29-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
2.1.2 InChI
InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6+,7-
2.1.3 InChI Key
RIVOBMOBWMOLDJ-RNGGSSJXSA-N
2.1.4 Canonical SMILES
C1CC2CC1C3C2C(=O)NC3=O
2.1.5 Isomeric SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)NC3=O
2.2 Other Identifiers
2.2.1 UNII
KQP7HXS2R5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 14805-29-9

2. Exo-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

3. 2,3-norbornanedicarboximide, Exo-

4. Kqp7hxs2r5

5. (3ar,4s,7r,7as) 4,7-methano-1h-isoindole-1,3(2h)-dione

6. (3ar,4s,7r,7as)-rel-hexahydro-4,7-methano-1h-isoindole-1,3(2h)-dione

7. Nsc-238001

8. (1r,2s,6r,7s)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

9. (3ar,4s,7r,7as)4,7-methano-1h-isoindole-1,3(2h)-dione

10. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-, (3ar,4s,7r,7as)-

11. Mfcd12964181

12. Exo-2,3-norbornanedicarboximide

13. Unii-kqp7hxs2r5

14. Schembl2545200

15. Dtxsid10444279

16. (3ar,4s,7r,7as)-hexahydro-4,7-methano-2h-isoindole-1,3-dione

17. Bcp04722

18. Zinc1762541

19. Bbl102786

20. Stl556592

21. Zb1362

22. Akos015999575

23. Cs-w003844

24. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-, (3ar,4s,7r,7as)-rel-

25. Ds-15434

26. N1116

27. Bicyclo[2,2,1]heptane-2,3-di-exo-carboximide

28. J-501167

29. (3ar,4s,7r,7as)-4,7-methano-1h-isoindole-1,3(2h)-dione

30. (3as,4r,7s,7ar)-hexahydro-4,7-methano-1h-isoindole-1,3-(2h)-dione

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 165.19 g/mol
Molecular Formula C9H11NO2
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass165.078978594 g/mol
Monoisotopic Mass165.078978594 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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