2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile

C14H4N4 — CID 101255354

IUPAC2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile
SMILESN#CC1=CC=C(C#N)C1=C1C(C#N)=CC=C1C#N
InChIInChI=1S/C14H4N4/c15-5-9-1-2-10(6-16)13(9)14-11(7-17)3-4-12(14)8-18/h1-4H
InChIKeyIMFWBSZLVOIDAV-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.11
Rot. Bonds

About 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile

2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile (PubChem CID 101255354) has the molecular formula C14H4N4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile
PubChem CID101255354
Molecular FormulaC14H4N4
Molecular Weight228.21 g/mol
Exact Mass228.04
IUPAC Name2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile
SMILESN#CC1=CC=C(C#N)C1=C1C(C#N)=CC=C1C#N
InChIInChI=1S/C14H4N4/c15-5-9-1-2-10(6-16)13(9)14-11(7-17)3-4-12(14)8-18/h1-4H
InChIKeyIMFWBSZLVOIDAV-UHFFFAOYSA-N
XLogP2.11
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile?
The IUPAC name of 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile (CID 101255354) is 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile?
The canonical SMILES for 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile is N#CC1=CC=C(C#N)C1=C1C(C#N)=CC=C1C#N.
What is the InChIKey of 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile?
The InChIKey is IMFWBSZLVOIDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4N4/c15-5-9-1-2-10(6-16)13(9)14-11(7-17)3-4-12(14)8-18/h1-4H.
What are the key properties of 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile?
2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile has a molecular weight of 228.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dicyanocyclopenta-2,4-dien-1-ylidene)cyclopenta-3,5-diene-1,3-dicarbonitrile is sourced from PubChem (CID 101255354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).