6-(diethylamino)-1-benzofuran-2-carbaldehyde

C13H15NO2 — CID 14716710

IUPAC6-(diethylamino)-1-benzofuran-2-carbaldehyde
SMILESCCN(CC)c1ccc2cc(C=O)oc2c1
InChIInChI=1S/C13H15NO2/c1-3-14(4-2)11-6-5-10-7-12(9-15)16-13(10)8-11/h5-9H,3-4H2,1-2H3
InChIKeySAGKXCUOXIGTNT-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.09
Rot. Bonds4

About 6-(diethylamino)-1-benzofuran-2-carbaldehyde

6-(diethylamino)-1-benzofuran-2-carbaldehyde (PubChem CID 14716710) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(diethylamino)-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6-(diethylamino)-1-benzofuran-2-carbaldehyde
PubChem CID14716710
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-(diethylamino)-1-benzofuran-2-carbaldehyde
SMILESCCN(CC)c1ccc2cc(C=O)oc2c1
InChIInChI=1S/C13H15NO2/c1-3-14(4-2)11-6-5-10-7-12(9-15)16-13(10)8-11/h5-9H,3-4H2,1-2H3
InChIKeySAGKXCUOXIGTNT-UHFFFAOYSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.09
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 6-(diethylamino)-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6-(diethylamino)-1-benzofuran-2-carbaldehyde (CID 14716710) is 6-(diethylamino)-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6-(diethylamino)-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6-(diethylamino)-1-benzofuran-2-carbaldehyde is CCN(CC)c1ccc2cc(C=O)oc2c1.
What is the InChIKey of 6-(diethylamino)-1-benzofuran-2-carbaldehyde?
The InChIKey is SAGKXCUOXIGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-14(4-2)11-6-5-10-7-12(9-15)16-13(10)8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-(diethylamino)-1-benzofuran-2-carbaldehyde?
6-(diethylamino)-1-benzofuran-2-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 14716710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).