3-(1-benzofuran-5-yloxymethyl)azetidine

C12H13NO2 — CID 84671433

IUPAC3-(1-benzofuran-5-yloxymethyl)azetidine
SMILESc1cc2cc(OCC3CNC3)ccc2o1
InChIInChI=1S/C12H13NO2/c1-2-12-10(3-4-14-12)5-11(1)15-8-9-6-13-7-9/h1-5,9,13H,6-8H2
InChIKeyQDZYHCWFNWXMII-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.03
Rot. Bonds3

About 3-(1-benzofuran-5-yloxymethyl)azetidine

3-(1-benzofuran-5-yloxymethyl)azetidine (PubChem CID 84671433) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yloxymethyl)azetidine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yloxymethyl)azetidine
PubChem CID84671433
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(1-benzofuran-5-yloxymethyl)azetidine
SMILESc1cc2cc(OCC3CNC3)ccc2o1
InChIInChI=1S/C12H13NO2/c1-2-12-10(3-4-14-12)5-11(1)15-8-9-6-13-7-9/h1-5,9,13H,6-8H2
InChIKeyQDZYHCWFNWXMII-UHFFFAOYSA-N
XLogP2.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzofuran-5-yloxymethyl)azetidine 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 3-(1-benzofuran-5-yloxymethyl)azetidine?
The IUPAC name of 3-(1-benzofuran-5-yloxymethyl)azetidine (CID 84671433) is 3-(1-benzofuran-5-yloxymethyl)azetidine.
What is the SMILES notation for 3-(1-benzofuran-5-yloxymethyl)azetidine?
The canonical SMILES for 3-(1-benzofuran-5-yloxymethyl)azetidine is c1cc2cc(OCC3CNC3)ccc2o1.
What is the InChIKey of 3-(1-benzofuran-5-yloxymethyl)azetidine?
The InChIKey is QDZYHCWFNWXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-12-10(3-4-14-12)5-11(1)15-8-9-6-13-7-9/h1-5,9,13H,6-8H2.
What are the key properties of 3-(1-benzofuran-5-yloxymethyl)azetidine?
3-(1-benzofuran-5-yloxymethyl)azetidine has a molecular weight of 203.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yloxymethyl)azetidine is sourced from PubChem (CID 84671433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).