CAS 533-37-9

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 2,3-cyclopentenopyridine, 533-37-9, Pyrindan, Cyclopenta[b]pyridine, 2,3-cyclopenteno pyridine, 5h-1-pyrindine, 6,7-dihydro-

Molecular Formula

C₈H₉N

Molecular Weight

119.16 g/mol

InChI Key

KRNSYSYRLQDHDK-UHFFFAOYSA-N

FDA UNII

18Z19A103W

1 2D Structure

CAS 533-37-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6,7-dihydro-5H-cyclopenta[b]pyridine

2.1.2 InChI

InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2

2.1.3 InChI Key

KRNSYSYRLQDHDK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C1)N=CC=C2

2.2 Other Identifiers

2.2.1 UNII

18Z19A103W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,3-cyclopentenopyridine

2.3.2 Depositor-Supplied Synonyms

1. 2,3-cyclopentenopyridine

2. 533-37-9

3. Pyrindan

4. Cyclopenta[b]pyridine

5. 2,3-cyclopenteno Pyridine

6. 5h-1-pyrindine, 6,7-dihydro-

7. 6,7-dihydro-5h-cyclopenta(b)pyridine

8. 5h-cyclopenta[b]pyridine, 6,7-dihydro-

9. Mfcd00005933

10. 6,7-dihydro-5h-[1]pyrindine

11. 18z19a103w

12. 6,7-dihydro-5h-(1)pyrindine

13. 5h-cyclopenta(b)pyridine, 6,7-dihydro-

14. Unii-18z19a103w

15. 5h,6h,7h-cyclopenta[b]pyridine

16. Einecs 208-564-1

17. Schembl149347

18. Schembl8844010

19. 2,3-cyclopentenopyridine, 98%

20. Amy8991

21. Dtxsid70201446

22. 5h-1-pyrindene, 6,7-dihydro-

23. 6,7-dihydro-5h-pyrindine

24. Act01400

25. Bcp01061

26. Zinc1846564

27. Akos015891537

28. Ac-2007

29. Cs-w001977

30. 5h-cyclopenta[b]pyridine,6,7-dihydro-

31. 6,7-dihydro-5h-cyclopenta[b]pyridine #

32. As-10927

33. Sy005163

34. 9,16-dioxo-10,12,14-octadecatrienoicacid

35. D3536

36. Ft-0632326

37. En300-83944

38. A15629

39. Q-100606

40. Q27252043

41. F8881-6187

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉N
Molecular Weight	119.16 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	119.073499291 g/mol
Monoisotopic Mass	119.073499291 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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