5-(anilinomethyl)furan-2-carbaldehyde

C12H11NO2 — CID 131968530

IUPAC5-(anilinomethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H11NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,9,13H,8H2
InChIKeyIWSLNRLTARPGQE-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.70
Rot. Bonds4

About 5-(anilinomethyl)furan-2-carbaldehyde

5-(anilinomethyl)furan-2-carbaldehyde (PubChem CID 131968530) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(anilinomethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(anilinomethyl)furan-2-carbaldehyde
PubChem CID131968530
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5-(anilinomethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H11NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,9,13H,8H2
InChIKeyIWSLNRLTARPGQE-UHFFFAOYSA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 5-(anilinomethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(anilinomethyl)furan-2-carbaldehyde (CID 131968530) is 5-(anilinomethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(anilinomethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(anilinomethyl)furan-2-carbaldehyde is O=Cc1ccc(CNc2ccccc2)o1.
What is the InChIKey of 5-(anilinomethyl)furan-2-carbaldehyde?
The InChIKey is IWSLNRLTARPGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,9,13H,8H2.
What are the key properties of 5-(anilinomethyl)furan-2-carbaldehyde?
5-(anilinomethyl)furan-2-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)furan-2-carbaldehyde is sourced from PubChem (CID 131968530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).