2-(5-formylfuran-2-yl)benzonitrile

C12H7NO2 — CID 3293350

IUPAC2-(5-formylfuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C12H7NO2/c13-7-9-3-1-2-4-11(9)12-6-5-10(8-14)15-12/h1-6,8H
InChIKeyAXHWLBNYUIICMH-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.63
Rot. Bonds2

About 2-(5-formylfuran-2-yl)benzonitrile

2-(5-formylfuran-2-yl)benzonitrile (PubChem CID 3293350) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)benzonitrile
PubChem CID3293350
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name2-(5-formylfuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C12H7NO2/c13-7-9-3-1-2-4-11(9)12-6-5-10(8-14)15-12/h1-6,8H
InChIKeyAXHWLBNYUIICMH-UHFFFAOYSA-N
XLogP2.63
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)benzonitrile?
The IUPAC name of 2-(5-formylfuran-2-yl)benzonitrile (CID 3293350) is 2-(5-formylfuran-2-yl)benzonitrile.
What is the SMILES notation for 2-(5-formylfuran-2-yl)benzonitrile?
The canonical SMILES for 2-(5-formylfuran-2-yl)benzonitrile is N#Cc1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 2-(5-formylfuran-2-yl)benzonitrile?
The InChIKey is AXHWLBNYUIICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c13-7-9-3-1-2-4-11(9)12-6-5-10(8-14)15-12/h1-6,8H.
What are the key properties of 2-(5-formylfuran-2-yl)benzonitrile?
2-(5-formylfuran-2-yl)benzonitrile has a molecular weight of 197.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)benzonitrile is sourced from PubChem (CID 3293350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).