3-(furan-3-yl)benzene-1,2-dicarbonitrile

C12H6N2O — CID 76539722

IUPAC3-(furan-3-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2ccoc2)c1C#N
InChIInChI=1S/C12H6N2O/c13-6-9-2-1-3-11(12(9)7-14)10-4-5-15-8-10/h1-5,8H
InChIKeyNRQZKAIADIZLHZ-UHFFFAOYSA-N
MW194.19 g/mol
LogP2.69
Rot. Bonds1

About 3-(furan-3-yl)benzene-1,2-dicarbonitrile

3-(furan-3-yl)benzene-1,2-dicarbonitrile (PubChem CID 76539722) has the molecular formula C12H6N2O and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(furan-3-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(furan-3-yl)benzene-1,2-dicarbonitrile
PubChem CID76539722
Molecular FormulaC12H6N2O
Molecular Weight194.19 g/mol
Exact Mass194.05
IUPAC Name3-(furan-3-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2ccoc2)c1C#N
InChIInChI=1S/C12H6N2O/c13-6-9-2-1-3-11(12(9)7-14)10-4-5-15-8-10/h1-5,8H
InChIKeyNRQZKAIADIZLHZ-UHFFFAOYSA-N
XLogP2.69
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(furan-3-yl)benzene-1,2-dicarbonitrile (CID 76539722) is 3-(furan-3-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(furan-3-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(furan-3-yl)benzene-1,2-dicarbonitrile is N#Cc1cccc(-c2ccoc2)c1C#N.
What is the InChIKey of 3-(furan-3-yl)benzene-1,2-dicarbonitrile?
The InChIKey is NRQZKAIADIZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O/c13-6-9-2-1-3-11(12(9)7-14)10-4-5-15-8-10/h1-5,8H.
What are the key properties of 3-(furan-3-yl)benzene-1,2-dicarbonitrile?
3-(furan-3-yl)benzene-1,2-dicarbonitrile has a molecular weight of 194.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 76539722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).