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2D Structure
Also known as: 591769-05-0, (e)-3-cyclopentylprop-2-enenitrile, (e)-3-cyclopentylacrylonitrile, 3-cyclopentylprop-2-enenitrile, (2e)-3-cyclopentylprop-2-enenitrile, 1236033-37-6
Molecular Formula
C8H11N
Molecular Weight
121.18  g/mol
InChI Key
VMELXYJYSXXORF-ZZXKWVIFSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-3-cyclopentylprop-2-enenitrile
2.1.2 InChI
InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
2.1.3 InChI Key
VMELXYJYSXXORF-ZZXKWVIFSA-N
2.1.4 Canonical SMILES
C1CCC(C1)C=CC#N
2.1.5 Isomeric SMILES
C1CCC(C1)/C=C/C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 591769-05-0

2. (e)-3-cyclopentylprop-2-enenitrile

3. (e)-3-cyclopentylacrylonitrile

4. 3-cyclopentylprop-2-enenitrile

5. (2e)-3-cyclopentylprop-2-enenitrile

6. 1236033-37-6

7. Mfcd11857755

8. 3-cyyclopentylacrylonitrile

9. 3-cyclopentyl-acrylonitrile

10. Schembl99596

11. (2e)-3-cyclopentylacrylonitrile

12. Amy1240

13. Dtxsid40613678

14. 3-(cyclopentyl)prop-2-enenitrile

15. Vmelxyjysxxorf-zzxkwvifsa-n

16. Bcp15525

17. 3-cyclopentylacrylonitrile, Aldrichcpr

18. Akos011598462

19. Ds-8986

20. Trans-3-cyclopentylacrylonitrile

21. Ls-13433

22. Db-092460

23. Cs-0008245

24. P20369

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 121.18 g/mol
Molecular Formula C8H11N
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area23.8
Heavy Atom Count9
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1