cyclohexane-1,2,3,4-tetracarbonitrile

C10H8N4 — CID 87163155

IUPACcyclohexane-1,2,3,4-tetracarbonitrile
SMILESN#CC1CCC(C#N)C(C#N)C1C#N
InChIInChI=1S/C10H8N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h7-10H,1-2H2
InChIKeyMNJVASQSXWUXAI-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.34
Rot. Bonds

About cyclohexane-1,2,3,4-tetracarbonitrile

cyclohexane-1,2,3,4-tetracarbonitrile (PubChem CID 87163155) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is cyclohexane-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Namecyclohexane-1,2,3,4-tetracarbonitrile
PubChem CID87163155
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Namecyclohexane-1,2,3,4-tetracarbonitrile
SMILESN#CC1CCC(C#N)C(C#N)C1C#N
InChIInChI=1S/C10H8N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h7-10H,1-2H2
InChIKeyMNJVASQSXWUXAI-UHFFFAOYSA-N
XLogP1.34
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4-tetracarbonitrile?
The IUPAC name of cyclohexane-1,2,3,4-tetracarbonitrile (CID 87163155) is cyclohexane-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for cyclohexane-1,2,3,4-tetracarbonitrile?
The canonical SMILES for cyclohexane-1,2,3,4-tetracarbonitrile is N#CC1CCC(C#N)C(C#N)C1C#N.
What is the InChIKey of cyclohexane-1,2,3,4-tetracarbonitrile?
The InChIKey is MNJVASQSXWUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h7-10H,1-2H2.
What are the key properties of cyclohexane-1,2,3,4-tetracarbonitrile?
cyclohexane-1,2,3,4-tetracarbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 87163155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).