3-(4-formylphenyl)furan-2-carbonitrile

C12H7NO2 — CID 18946848

IUPAC3-(4-formylphenyl)furan-2-carbonitrile
SMILESN#Cc1occc1-c1ccc(C=O)cc1
InChIInChI=1S/C12H7NO2/c13-7-12-11(5-6-15-12)10-3-1-9(8-14)2-4-10/h1-6,8H
InChIKeyJRJMLARHTMUZSM-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-formylphenyl)furan-2-carbonitrile

3-(4-formylphenyl)furan-2-carbonitrile (PubChem CID 18946848) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-formylphenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name3-(4-formylphenyl)furan-2-carbonitrile
PubChem CID18946848
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name3-(4-formylphenyl)furan-2-carbonitrile
SMILESN#Cc1occc1-c1ccc(C=O)cc1
InChIInChI=1S/C12H7NO2/c13-7-12-11(5-6-15-12)10-3-1-9(8-14)2-4-10/h1-6,8H
InChIKeyJRJMLARHTMUZSM-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 3-(4-formylphenyl)furan-2-carbonitrile?
The IUPAC name of 3-(4-formylphenyl)furan-2-carbonitrile (CID 18946848) is 3-(4-formylphenyl)furan-2-carbonitrile.
What is the SMILES notation for 3-(4-formylphenyl)furan-2-carbonitrile?
The canonical SMILES for 3-(4-formylphenyl)furan-2-carbonitrile is N#Cc1occc1-c1ccc(C=O)cc1.
What is the InChIKey of 3-(4-formylphenyl)furan-2-carbonitrile?
The InChIKey is JRJMLARHTMUZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c13-7-12-11(5-6-15-12)10-3-1-9(8-14)2-4-10/h1-6,8H.
What are the key properties of 3-(4-formylphenyl)furan-2-carbonitrile?
3-(4-formylphenyl)furan-2-carbonitrile 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 3-(4-formylphenyl)furan-2-carbonitrile is sourced from PubChem (CID 18946848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).