CAS 14805-29-9

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7 End Use APIs
79 Related Intermediates

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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

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 Formula	C₉H₁₁NO₂
Molecular Weight	165.19 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	165.078978594 g/mol
Monoisotopic Mass	165.078978594 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1