5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole

C14H18N2O — CID 11053438

IUPAC5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C)C3)c2c1
InChIInChI=1S/C14H18N2O/c1-16-6-5-10(9-16)13-8-15-14-4-3-11(17-2)7-12(13)14/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyISLZNKXLIRVSJS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds2

About 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole

5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole (PubChem CID 11053438) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole
PubChem CID11053438
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C)C3)c2c1
InChIInChI=1S/C14H18N2O/c1-16-6-5-10(9-16)13-8-15-14-4-3-11(17-2)7-12(13)14/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyISLZNKXLIRVSJS-UHFFFAOYSA-N
XLogP2.60
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole 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 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The IUPAC name of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole (CID 11053438) is 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole is COc1ccc2[nH]cc(C3CCN(C)C3)c2c1.
What is the InChIKey of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The InChIKey is ISLZNKXLIRVSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-6-5-10(9-16)13-8-15-14-4-3-11(17-2)7-12(13)14/h3-4,7-8,10,15H,5-6,9H2,1-2H3.
What are the key properties of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole?
5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole has a molecular weight of 230.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1H-indole is sourced from PubChem (CID 11053438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).