4-[5-(furan-2-yl)furan-2-yl]benzonitrile

C15H9NO2 — CID 23156957

IUPAC4-[5-(furan-2-yl)furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccco3)o2)cc1
InChIInChI=1S/C15H9NO2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H
InChIKeyGUHBTZWQXNFNFU-UHFFFAOYSA-N
MW235.24 g/mol
LogP4.08
Rot. Bonds2

About 4-[5-(furan-2-yl)furan-2-yl]benzonitrile

4-[5-(furan-2-yl)furan-2-yl]benzonitrile (PubChem CID 23156957) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)furan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(furan-2-yl)furan-2-yl]benzonitrile
PubChem CID23156957
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name4-[5-(furan-2-yl)furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccco3)o2)cc1
InChIInChI=1S/C15H9NO2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H
InChIKeyGUHBTZWQXNFNFU-UHFFFAOYSA-N
XLogP4.08
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)furan-2-yl]benzonitrile?
The IUPAC name of 4-[5-(furan-2-yl)furan-2-yl]benzonitrile (CID 23156957) is 4-[5-(furan-2-yl)furan-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(furan-2-yl)furan-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(furan-2-yl)furan-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccco3)o2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)furan-2-yl]benzonitrile?
The InChIKey is GUHBTZWQXNFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H.
What are the key properties of 4-[5-(furan-2-yl)furan-2-yl]benzonitrile?
4-[5-(furan-2-yl)furan-2-yl]benzonitrile has a molecular weight of 235.24 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)furan-2-yl]benzonitrile is sourced from PubChem (CID 23156957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).