Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 1-methylazepan-2-one, 2556-73-2, 1-methylcaprolactam, 2h-azepin-2-one, hexahydro-1-methyl-, N-methyl-.epsilon.-caprolactam, N-methyl-e-caprolactam
Molecular Formula
C7H13NO
Molecular Weight
127.18  g/mol
InChI Key
ZWXPDGCFMMFNRW-UHFFFAOYSA-N
FDA UNII
MW0A52H6M8

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methylazepan-2-one
2.1.2 InChI
InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
2.1.3 InChI Key
ZWXPDGCFMMFNRW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCCCCC1=O
2.2 Other Identifiers
2.2.1 UNII
MW0A52H6M8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1-methylazepan-2-one

2. 2556-73-2

3. 1-methylcaprolactam

4. 2h-azepin-2-one, Hexahydro-1-methyl-

5. N-methyl-.epsilon.-caprolactam

6. N-methyl-e-caprolactam

7. 2h-azepin-2-one, Hexahydromethyl-

8. 2h-azepin-2-one, Hexahydro-n-methyl-

9. N-methyl-epsilon-caprolactam

10. Nsc 68794

11. N-methyl Caprolactam

12. Mw0a52h6m8

13. .epsilon.-caprolactam, N-methyl-

14. Hexahydro-1-methyl-2h-azepin-2-one

15. Nsc-68794

16. Epsilon-caprolactam, N-methyl-

17. Hexahydro-n-methyl-2h-azepin-2-one

18. 1-methyl-2-azepanone

19. Einecs 219-874-1

20. Brn 0108968

21. Ai3-09488

22. Nsc68794

23. N-methyl-caprolactam

24. N-methyl-6-caprolactam

25. 1-methyl-azepan-2-one

26. 1-methyl-2-azepanone #

27. N-methylcaprolactam, 99%

28. Wln: T7nvtj A1

29. Unii-mw0a52h6m8

30. N-methyl-2-azacycloheptanone

31. Schembl54926

32. 1-methylazacycloheptan-2-one

33. 5-21-06-00449 (beilstein Handbook Reference)

34. Chembl12103

35. 1-methyl-azacycloheptan-2-one

36. Dtxsid3074656

37. Chebi:167780

38. Caa55673

39. Zinc4283847

40. Mfcd00003263

41. Akos000121246

42. Ds-17761

43. 1-methylhexahydro-2h-azepin-2-one

44. Db-046730

45. Hexamethylenimine, 1-methyl-2-oxo-

46. Cs-0151090

47. Ft-0634362

48. M0686

49. F20350

50. A817907

51. W-107232

52. Q63396621

53. F8889-9236

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 127.18 g/mol
Molecular Formula C7H13NO
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass127.099714038 g/mol
Monoisotopic Mass127.099714038 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1