2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile

C13H9NO2 — CID 117301191

IUPAC2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile
SMILESCc1cc2c(C#N)c3oc(C)cc3cc2o1
InChIInChI=1S/C13H9NO2/c1-7-3-9-5-12-10(4-8(2)15-12)11(6-14)13(9)16-7/h3-5H,1-2H3
InChIKeyYVYXPZPMTQQWFF-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.67
Rot. Bonds

About 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile

2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile (PubChem CID 117301191) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile.

Molecular Properties

Compound Name2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile
PubChem CID117301191
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile
SMILESCc1cc2c(C#N)c3oc(C)cc3cc2o1
InChIInChI=1S/C13H9NO2/c1-7-3-9-5-12-10(4-8(2)15-12)11(6-14)13(9)16-7/h3-5H,1-2H3
InChIKeyYVYXPZPMTQQWFF-UHFFFAOYSA-N
XLogP3.67
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile?
The IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile (CID 117301191) is 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile.
What is the SMILES notation for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile?
The canonical SMILES for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile is Cc1cc2c(C#N)c3oc(C)cc3cc2o1.
What is the InChIKey of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile?
The InChIKey is YVYXPZPMTQQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-7-3-9-5-12-10(4-8(2)15-12)11(6-14)13(9)16-7/h3-5H,1-2H3.
What are the key properties of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile?
2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile is sourced from PubChem (CID 117301191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).