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

C15H16N2O — CID 118567165

IUPAC1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
SMILESCN1CCc2ccc(OCc3cccnc3)cc21
InChIInChI=1S/C15H16N2O/c1-17-8-6-13-4-5-14(9-15(13)17)18-11-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyQWLCOQWTLGXSIC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds3

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

1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole (PubChem CID 118567165) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
PubChem CID118567165
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
SMILESCN1CCc2ccc(OCc3cccnc3)cc21
InChIInChI=1S/C15H16N2O/c1-17-8-6-13-4-5-14(9-15(13)17)18-11-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyQWLCOQWTLGXSIC-UHFFFAOYSA-N
XLogP2.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole?
The IUPAC name of 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole (CID 118567165) is 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole is CN1CCc2ccc(OCc3cccnc3)cc21.
What is the InChIKey of 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole?
The InChIKey is QWLCOQWTLGXSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-8-6-13-4-5-14(9-15(13)17)18-11-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole?
1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole has a molecular weight of 240.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole is sourced from PubChem (CID 118567165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).