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2D Structure
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

2D Structure

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 Weight 253.42 g/mol
Molecular Formula C16H31NO
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass253.240564612 g/mol
Monoisotopic Mass253.240564612 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1