[6-(diethylamino)-1-benzofuran-5-yl] formate

C13H15NO3 — CID 175672799

IUPAC[6-(diethylamino)-1-benzofuran-5-yl] formate
SMILESCCN(CC)c1cc2occc2cc1OC=O
InChIInChI=1S/C13H15NO3/c1-3-14(4-2)11-8-12-10(5-6-16-12)7-13(11)17-9-15/h5-9H,3-4H2,1-2H3
InChIKeyOWWUPOJQFAUGAM-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.81
Rot. Bonds5

About [6-(diethylamino)-1-benzofuran-5-yl] formate

[6-(diethylamino)-1-benzofuran-5-yl] formate (PubChem CID 175672799) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [6-(diethylamino)-1-benzofuran-5-yl] formate.

Molecular Properties

Compound Name[6-(diethylamino)-1-benzofuran-5-yl] formate
PubChem CID175672799
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[6-(diethylamino)-1-benzofuran-5-yl] formate
SMILESCCN(CC)c1cc2occc2cc1OC=O
InChIInChI=1S/C13H15NO3/c1-3-14(4-2)11-8-12-10(5-6-16-12)7-13(11)17-9-15/h5-9H,3-4H2,1-2H3
InChIKeyOWWUPOJQFAUGAM-UHFFFAOYSA-N
XLogP2.81
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(diethylamino)-1-benzofuran-5-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-1-benzofuran-5-yl] formate?
The IUPAC name of [6-(diethylamino)-1-benzofuran-5-yl] formate (CID 175672799) is [6-(diethylamino)-1-benzofuran-5-yl] formate.
What is the SMILES notation for [6-(diethylamino)-1-benzofuran-5-yl] formate?
The canonical SMILES for [6-(diethylamino)-1-benzofuran-5-yl] formate is CCN(CC)c1cc2occc2cc1OC=O.
What is the InChIKey of [6-(diethylamino)-1-benzofuran-5-yl] formate?
The InChIKey is OWWUPOJQFAUGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14(4-2)11-8-12-10(5-6-16-12)7-13(11)17-9-15/h5-9H,3-4H2,1-2H3.
What are the key properties of [6-(diethylamino)-1-benzofuran-5-yl] formate?
[6-(diethylamino)-1-benzofuran-5-yl] formate has a molecular weight of 233.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-1-benzofuran-5-yl] formate is sourced from PubChem (CID 175672799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).