cyclobut-2-ene-1,2-dicarbonitrile

C6H4N2 — CID 23108350

IUPACcyclobut-2-ene-1,2-dicarbonitrile
SMILESN#CC1=CCC1C#N
InChIInChI=1S/C6H4N2/c7-3-5-1-2-6(5)4-8/h1,6H,2H2
InChIKeyLWKVKUNGXZJKRY-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.98
Rot. Bonds

About cyclobut-2-ene-1,2-dicarbonitrile

cyclobut-2-ene-1,2-dicarbonitrile (PubChem CID 23108350) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is cyclobut-2-ene-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclobut-2-ene-1,2-dicarbonitrile
PubChem CID23108350
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Namecyclobut-2-ene-1,2-dicarbonitrile
SMILESN#CC1=CCC1C#N
InChIInChI=1S/C6H4N2/c7-3-5-1-2-6(5)4-8/h1,6H,2H2
InChIKeyLWKVKUNGXZJKRY-UHFFFAOYSA-N
XLogP0.98
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobut-2-ene-1,2-dicarbonitrile?
The IUPAC name of cyclobut-2-ene-1,2-dicarbonitrile (CID 23108350) is cyclobut-2-ene-1,2-dicarbonitrile.
What is the SMILES notation for cyclobut-2-ene-1,2-dicarbonitrile?
The canonical SMILES for cyclobut-2-ene-1,2-dicarbonitrile is N#CC1=CCC1C#N.
What is the InChIKey of cyclobut-2-ene-1,2-dicarbonitrile?
The InChIKey is LWKVKUNGXZJKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2/c7-3-5-1-2-6(5)4-8/h1,6H,2H2.
What are the key properties of cyclobut-2-ene-1,2-dicarbonitrile?
cyclobut-2-ene-1,2-dicarbonitrile has a molecular weight of 104.11 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobut-2-ene-1,2-dicarbonitrile is sourced from PubChem (CID 23108350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).