3-(furan-2-yl)benzonitrile

C11H7NO — CID 4163731

IUPAC3-(furan-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccco2)c1
InChIInChI=1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
InChIKeyBUZQKXZXWYCNJK-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.82
Rot. Bonds1

About 3-(furan-2-yl)benzonitrile

3-(furan-2-yl)benzonitrile (PubChem CID 4163731) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(furan-2-yl)benzonitrile
PubChem CID4163731
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name3-(furan-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccco2)c1
InChIInChI=1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
InChIKeyBUZQKXZXWYCNJK-UHFFFAOYSA-N
XLogP2.82
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)benzonitrile?
The IUPAC name of 3-(furan-2-yl)benzonitrile (CID 4163731) is 3-(furan-2-yl)benzonitrile.
What is the SMILES notation for 3-(furan-2-yl)benzonitrile?
The canonical SMILES for 3-(furan-2-yl)benzonitrile is N#Cc1cccc(-c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)benzonitrile?
The InChIKey is BUZQKXZXWYCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H.
What are the key properties of 3-(furan-2-yl)benzonitrile?
3-(furan-2-yl)benzonitrile has a molecular weight of 169.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)benzonitrile is sourced from PubChem (CID 4163731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).