1-Dodecyl-2-pyrrolidinone

Synopsis, Chemistry

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Also known as: 1-dodecylpyrrolidin-2-one, 2687-96-9, Lauryl pyrrolidone, 1-lauryl-2-pyrrolidone, N-dodecylpyrrolidinone, N-lauryl-2-pyrrolidone

Molecular Formula

C₁₆H₃₁NO

Molecular Weight

253.42 g/mol

InChI Key

NJPQAIBZIHNJDO-UHFFFAOYSA-N

FDA UNII

3P14VW8FNY

1 2D Structure

1-Dodecyl-2-pyrrolidinone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-dodecylpyrrolidin-2-one

2.1.2 InChI

InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3

2.1.3 InChI Key

NJPQAIBZIHNJDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCN1CCCC1=O

2.2 Other Identifiers

2.2.1 UNII

3P14VW8FNY

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-lauryl-2-pyrrolidone

2.3.2 Depositor-Supplied Synonyms

1. 1-dodecylpyrrolidin-2-one

2. 2687-96-9

3. Lauryl Pyrrolidone

4. 1-lauryl-2-pyrrolidone

5. N-dodecylpyrrolidinone

6. N-lauryl-2-pyrrolidone

7. 2-pyrrolidinone, 1-dodecyl-

8. N-dodecyl-2-pyrrolidone

9. 1-dodecyl-2-pyrrolidone

10. N-(n-dodecyl)pyrrolidinone

11. 3p14vw8fny

12. Unii-3p14vw8fny

13. Brn 0155011

14. Laurylpyrrolidone

15. N-dodecylpyrrolidone

16. Oristar Lpl

17. N-dodecylpyrrolidin-2-one

18. Ec 403-730-1

19. Surfadone Lp-300

20. Dsstox_cid_22206

21. Dsstox_rid_79957

22. Dsstox_gsid_42206

23. Schembl43383

24. Chembl3186490

25. Dtxsid4042206

26. 1-n-dodecylazacyclopentan-2-one

27. Lauryl Pyrrolidone [inci]

28. Chebi:146192

29. 1-dodecyl-2-pyrrolidinone, 99%

30. Zinc1849929

31. Tox21_300374

32. Mfcd00075066

33. Akos015898211

34. Cs-w012601

35. Ncgc00248010-01

36. Ncgc00254270-01

37. Bs-16757

38. Cas-2687-96-9

39. Ft-0652497

40. Ft-0654021

41. D70538

42. A818649

43. J-504832

44. Q27257840

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₁NO
Molecular Weight	253.42 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	253.240564612 g/mol
Monoisotopic Mass	253.240564612 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	215
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