CAS 2556-73-2

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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

CAS 2556-73-2

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 Formula	C₇H₁₃NO
Molecular Weight	127.18 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	127.099714038 g/mol
Monoisotopic Mass	127.099714038 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	112
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