SPRIO Imidazole HCl

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7 End Use APIs
8 Related Intermediates

Chemistry

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Also known as: 151257-01-1, 2-n-butyl-1,3-diaza-spiro[4,4]non-1-en-4-one hydrochloride, 2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one hcl, 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride, 1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-, monohydrochloride, Mfcd03428357

Molecular Formula

C₁₁H₁₉ClN₂O

Molecular Weight

230.73 g/mol

InChI Key

WWRHZLCKSVQRBG-UHFFFAOYSA-N

1 2D Structure

SPRIO Imidazole HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride

2.1.2 InChI

InChI=1S/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H

2.1.3 InChI Key

WWRHZLCKSVQRBG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=NC2(CCCC2)C(=O)N1.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 151257-01-1

2. 2-n-butyl-1,3-diaza-spiro[4,4]non-1-en-4-one Hydrochloride

3. 2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one Hcl

4. 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride

5. 1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-, Monohydrochloride

6. Mfcd03428357

7. 2-butyl-1,3-diazaspiro(4.4)non-1-en-4-one Hydrochloride

8. 2-butyl-4-spirocyclopentane-2-imidazolin-5-one, Hcl

9. 1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-, Hydrochloride (1:1)

10. 2-butyl-4-spirocyclopentane-2-imidazolin-5-one Hydrochloride

11. 2-n-butyl-1,3-diaza-spiro[4,4]non-1-en-4-one Hcl

12. Ec 424-560-4

13. Schembl535435

14. 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-onehydrochloride

15. Dtxsid10436477

16. 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one--hydrogen Chloride (1/1)

17. Akos015907796

18. Akos037643283

19. Ab15412

20. Ac-6864

21. Am90294

22. Cs-w014181

23. As-12497

24. Sy036928

25. B3291

26. Ft-0659370

27. 257b011

28. A809140

29. 2-butyl-1,3-diazaspiro[4,4]non-1-en-4-one Hcl

30. 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one Hcl

31. 2n-butyl-1,3-diazaspiro (4,4) Non-1-en-4 One Hcl

32. 2n-butyl-1,3-diazaspiro (4,4) Non-1-en-4-one Hcl

33. 2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one Hydrochloride

34. 2-butyl-1,3-diaza-spiro[4.4]non-1-en4-one Monohydrochloride

35. 2-butyl-1,3-diazaspiro[4,4]non-1-en-4-one Monohydrochloride

36. 2-butyl-1,3-diazaspiro[4.4]non-2-en-4-one Monohydrochloride

37. 2-(n-butyl)-1,3-diazaspiro[4.4]non-1-ene-4-one Hydrochloride

38. 2-butyl-1,3-diaza-spiro [4.4] Non-1-en-4-one Monohydrochloride

39. 2-n-butyl-1,3-diaza-spiro[4,4]non-1-en-4-onehydrochloride

40. 8-butyl-7,9-diazaspiro[4.4]non-8-en-6-one Hydrochloride;2-n-butyl-1,3-diaza-spiro[4,4]non-1-en-4-one Hcl

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉ClN₂O
Molecular Weight	230.73 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	230.1185909 g/mol
Monoisotopic Mass	230.1185909 g/mol
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	265
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	2