3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine

C11H13NO2 — CID 84663192

IUPAC3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine
SMILESc1cc2c(c(OC3CNC3)c1)OCC2
InChIInChI=1S/C11H13NO2/c1-2-8-4-5-13-11(8)10(3-1)14-9-6-12-7-9/h1-3,9,12H,4-7H2
InChIKeyOVDWVUAEGKTVAD-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.97
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine

3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine (PubChem CID 84663192) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine
PubChem CID84663192
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine
SMILESc1cc2c(c(OC3CNC3)c1)OCC2
InChIInChI=1S/C11H13NO2/c1-2-8-4-5-13-11(8)10(3-1)14-9-6-12-7-9/h1-3,9,12H,4-7H2
InChIKeyOVDWVUAEGKTVAD-UHFFFAOYSA-N
XLogP0.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine (CID 84663192) is 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine is c1cc2c(c(OC3CNC3)c1)OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine?
The InChIKey is OVDWVUAEGKTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-8-4-5-13-11(8)10(3-1)14-9-6-12-7-9/h1-3,9,12H,4-7H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine?
3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine has a molecular weight of 191.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yloxy)azetidine is sourced from PubChem (CID 84663192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).