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

C14H20N2O — CID 84695936

IUPAC1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole
SMILESCN1CCc2ccc(OCC3CCNC3)cc21
InChIInChI=1S/C14H20N2O/c1-16-7-5-12-2-3-13(8-14(12)16)17-10-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyKPEPIIGAHZNXNN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds3

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

1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole (PubChem CID 84695936) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole
PubChem CID84695936
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole
SMILESCN1CCc2ccc(OCC3CCNC3)cc21
InChIInChI=1S/C14H20N2O/c1-16-7-5-12-2-3-13(8-14(12)16)17-10-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyKPEPIIGAHZNXNN-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole?
The IUPAC name of 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole (CID 84695936) is 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole is CN1CCc2ccc(OCC3CCNC3)cc21.
What is the InChIKey of 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole?
The InChIKey is KPEPIIGAHZNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-7-5-12-2-3-13(8-14(12)16)17-10-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9-10H2,1H3.
What are the key properties of 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole?
1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole has a molecular weight of 232.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole is sourced from PubChem (CID 84695936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).