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

C16H11NO2 — CID 71056646

IUPAC4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3ccc(C#N)cc3)o2)o1
InChIInChI=1S/C16H11NO2/c1-11-2-7-15(18-11)16-9-8-14(19-16)13-5-3-12(10-17)4-6-13/h2-9H,1H3
InChIKeyKUDRDWQXMAUNLJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.39
Rot. Bonds2

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

4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile (PubChem CID 71056646) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
PubChem CID71056646
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3ccc(C#N)cc3)o2)o1
InChIInChI=1S/C16H11NO2/c1-11-2-7-15(18-11)16-9-8-14(19-16)13-5-3-12(10-17)4-6-13/h2-9H,1H3
InChIKeyKUDRDWQXMAUNLJ-UHFFFAOYSA-N
XLogP4.39
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylfuran-2-yl)benzonitrile
CID 4058362
4-(5-propan-2-ylfuran-2-yl)benzonitrile
CID 126610108
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
4-(5-methylfuran-2-yl)aniline;hydrochloride
CID 2859134
4-(5-methylfuran-2-yl)pyridine
CID 15721829
2-methyl-5-(4-nitrosophenyl)furan
CID 142882461
4-[5-(3-oxopropyl)furan-2-yl]benzonitrile
CID 89147049
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
azane;benzene-1,4-dicarbonitrile
CID 174336566
5-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile?
The IUPAC name of 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile (CID 71056646) is 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile is Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)o2)o1.
What is the InChIKey of 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile?
The InChIKey is KUDRDWQXMAUNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-11-2-7-15(18-11)16-9-8-14(19-16)13-5-3-12(10-17)4-6-13/h2-9H,1H3.
What are the key properties of 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile?
4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile is sourced from PubChem (CID 71056646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).