6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole

C13H18N2O — CID 84683878

IUPAC6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2ccc(OCC3CNC3)cc21
InChIInChI=1S/C13H18N2O/c1-15-5-4-11-2-3-12(6-13(11)15)16-9-10-7-14-8-10/h2-3,6,10,14H,4-5,7-9H2,1H3
InChIKeyKDEIYFAYXHABPD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.28
Rot. Bonds3

About 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole

6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole (PubChem CID 84683878) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole
PubChem CID84683878
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2ccc(OCC3CNC3)cc21
InChIInChI=1S/C13H18N2O/c1-15-5-4-11-2-3-12(6-13(11)15)16-9-10-7-14-8-10/h2-3,6,10,14H,4-5,7-9H2,1H3
InChIKeyKDEIYFAYXHABPD-UHFFFAOYSA-N
XLogP1.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole?
The IUPAC name of 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole (CID 84683878) is 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole is CN1CCc2ccc(OCC3CNC3)cc21.
What is the InChIKey of 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole?
The InChIKey is KDEIYFAYXHABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-5-4-11-2-3-12(6-13(11)15)16-9-10-7-14-8-10/h2-3,6,10,14H,4-5,7-9H2,1H3.
What are the key properties of 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole?
6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole has a molecular weight of 218.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylmethoxy)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 84683878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).