cyclooct-5-ene-1,2-dicarbonitrile

C10H12N2 — CID 90978277

IUPACcyclooct-5-ene-1,2-dicarbonitrile
SMILESN#CC1CCC=CCCC1C#N
InChIInChI=1S/C10H12N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-2,9-10H,3-6H2
InChIKeyUEVZZEIJMGLPAB-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.40
Rot. Bonds

About cyclooct-5-ene-1,2-dicarbonitrile

cyclooct-5-ene-1,2-dicarbonitrile (PubChem CID 90978277) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is cyclooct-5-ene-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclooct-5-ene-1,2-dicarbonitrile
PubChem CID90978277
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Namecyclooct-5-ene-1,2-dicarbonitrile
SMILESN#CC1CCC=CCCC1C#N
InChIInChI=1S/C10H12N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-2,9-10H,3-6H2
InChIKeyUEVZZEIJMGLPAB-UHFFFAOYSA-N
XLogP2.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclooct-5-ene-1,2-dicarbonitrile?
The IUPAC name of cyclooct-5-ene-1,2-dicarbonitrile (CID 90978277) is cyclooct-5-ene-1,2-dicarbonitrile.
What is the SMILES notation for cyclooct-5-ene-1,2-dicarbonitrile?
The canonical SMILES for cyclooct-5-ene-1,2-dicarbonitrile is N#CC1CCC=CCCC1C#N.
What is the InChIKey of cyclooct-5-ene-1,2-dicarbonitrile?
The InChIKey is UEVZZEIJMGLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-2,9-10H,3-6H2.
What are the key properties of cyclooct-5-ene-1,2-dicarbonitrile?
cyclooct-5-ene-1,2-dicarbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-5-ene-1,2-dicarbonitrile is sourced from PubChem (CID 90978277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).