CAS 591769-05-0

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CHEMISTRY

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 19 Related Intermediates

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2 End Use APIs
19 Related Intermediates

Chemistry

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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

CAS 591769-05-0

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 Formula	C₈H₁₁N
Molecular Weight	121.18 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.8
Heavy Atom Count	9
Formal Charge	0
Complexity	143
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1