2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile

C8H4N2O2 — CID 57178261

IUPAC2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC(=O)C=CC1=O
InChIInChI=1S/C8H4N2O2/c9-4-8(5-10)3-6(11)1-2-7(8)12/h1-2H,3H2
InChIKeyZVYHSJHCLBAKNY-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.12
Rot. Bonds

About 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile

2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile (PubChem CID 57178261) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile.

Molecular Properties

Compound Name2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile
PubChem CID57178261
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Name2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC(=O)C=CC1=O
InChIInChI=1S/C8H4N2O2/c9-4-8(5-10)3-6(11)1-2-7(8)12/h1-2H,3H2
InChIKeyZVYHSJHCLBAKNY-UHFFFAOYSA-N
XLogP0.12
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile?
The IUPAC name of 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile (CID 57178261) is 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile.
What is the SMILES notation for 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile?
The canonical SMILES for 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile is N#CC1(C#N)CC(=O)C=CC1=O.
What is the InChIKey of 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile?
The InChIKey is ZVYHSJHCLBAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c9-4-8(5-10)3-6(11)1-2-7(8)12/h1-2H,3H2.
What are the key properties of 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile?
2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile has a molecular weight of 160.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxocyclohex-3-ene-1,1-dicarbonitrile is sourced from PubChem (CID 57178261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).