5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile

C11H6N4 — CID 88944568

IUPAC5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile
SMILESCCC1=C(C#N)C(C#N)=C(C#N)C1C#N
InChIInChI=1S/C11H6N4/c1-2-7-8(3-12)10(5-14)11(6-15)9(7)4-13/h8H,2H2,1H3
InChIKeyVWUHKWPNWRSFTB-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.71
Rot. Bonds1

About 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile

5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile (PubChem CID 88944568) has the molecular formula C11H6N4 and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Name5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile
PubChem CID88944568
Molecular FormulaC11H6N4
Molecular Weight194.20 g/mol
Exact Mass194.06
IUPAC Name5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile
SMILESCCC1=C(C#N)C(C#N)=C(C#N)C1C#N
InChIInChI=1S/C11H6N4/c1-2-7-8(3-12)10(5-14)11(6-15)9(7)4-13/h8H,2H2,1H3
InChIKeyVWUHKWPNWRSFTB-UHFFFAOYSA-N
XLogP1.71
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile?
The IUPAC name of 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile (CID 88944568) is 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile?
The canonical SMILES for 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile is CCC1=C(C#N)C(C#N)=C(C#N)C1C#N.
What is the InChIKey of 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile?
The InChIKey is VWUHKWPNWRSFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4/c1-2-7-8(3-12)10(5-14)11(6-15)9(7)4-13/h8H,2H2,1H3.
What are the key properties of 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile?
5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile has a molecular weight of 194.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 88944568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).