cyclooctene-1,2,3-tricarbonitrile

C11H11N3 — CID 90751459

IUPACcyclooctene-1,2,3-tricarbonitrile
SMILESN#CC1=C(C#N)C(C#N)CCCCC1
InChIInChI=1S/C11H11N3/c12-6-9-4-2-1-3-5-10(7-13)11(9)8-14/h9H,1-5H2
InChIKeyVKUDMXSLYFCGCV-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.43
Rot. Bonds

About cyclooctene-1,2,3-tricarbonitrile

cyclooctene-1,2,3-tricarbonitrile (PubChem CID 90751459) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is cyclooctene-1,2,3-tricarbonitrile.

Molecular Properties

Compound Namecyclooctene-1,2,3-tricarbonitrile
PubChem CID90751459
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Namecyclooctene-1,2,3-tricarbonitrile
SMILESN#CC1=C(C#N)C(C#N)CCCCC1
InChIInChI=1S/C11H11N3/c12-6-9-4-2-1-3-5-10(7-13)11(9)8-14/h9H,1-5H2
InChIKeyVKUDMXSLYFCGCV-UHFFFAOYSA-N
XLogP2.43
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclooctene-1,2,3-tricarbonitrile?
The IUPAC name of cyclooctene-1,2,3-tricarbonitrile (CID 90751459) is cyclooctene-1,2,3-tricarbonitrile.
What is the SMILES notation for cyclooctene-1,2,3-tricarbonitrile?
The canonical SMILES for cyclooctene-1,2,3-tricarbonitrile is N#CC1=C(C#N)C(C#N)CCCCC1.
What is the InChIKey of cyclooctene-1,2,3-tricarbonitrile?
The InChIKey is VKUDMXSLYFCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-6-9-4-2-1-3-5-10(7-13)11(9)8-14/h9H,1-5H2.
What are the key properties of cyclooctene-1,2,3-tricarbonitrile?
cyclooctene-1,2,3-tricarbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctene-1,2,3-tricarbonitrile is sourced from PubChem (CID 90751459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).