5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C16H22N2 — CID 10131024

IUPAC5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
InChIKeyXQBUOODGXPTQOQ-CQSZACIVSA-N
MW242.37 g/mol
LogP3.37
Rot. Bonds3

About 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 10131024) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID10131024
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
InChIKeyXQBUOODGXPTQOQ-CQSZACIVSA-N
XLogP3.37
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 10131024) is 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is XQBUOODGXPTQOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 10131024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).