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2D Structure
Also known as: 5500-21-0, Cyclopropyl cyanide, Cyanocyclopropane, Cyclopropylnitrile, Cyclopropanenitrile, 1-cyanocyclopropane
Molecular Formula
C4H5N
Molecular Weight
67.09  g/mol
InChI Key
AUQDITHEDVOTCU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopropanecarbonitrile
2.1.2 InChI
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
2.1.3 InChI Key
AUQDITHEDVOTCU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5500-21-0

2. Cyclopropyl Cyanide

3. Cyanocyclopropane

4. Cyclopropylnitrile

5. Cyclopropanenitrile

6. 1-cyanocyclopropane

7. Cyclopropane Carbonitrile

8. Mfcd00001269

9. Cyclopropane Cyanide

10. Cyclopropancarbonitril

11. Cyclopropylcyanide

12. Einecs 226-836-8

13. Nsc 60191

14. Cyclopropankohlenitrile

15. Ai3-07023

16. Unii-afu99gzs5d

17. Afu99gzs5d

18. Cyclopropanecarbonitrile, 98%

19. Dtxsid1063936

20. Amy3403

21. Cyclopropanecarboxylic Acid Nitrile

22. Act03326

23. Cs-d1406

24. Nsc60191

25. Zinc1690063

26. Nsc-60191

27. Stk328117

28. Akos000121165

29. Bp-10177

30. Db-007375

31. Ft-0602346

32. A830440

33. Q5198968

34. F0001-1444

35. Z1245735215

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 67.09 g/mol
Molecular Formula C4H5N
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass67.042199164 g/mol
Monoisotopic Mass67.042199164 g/mol
Topological Polar Surface Area23.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity72.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1