5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole

C15H20N2 — CID 18694425

IUPAC5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
SMILESCc1ccc2[nH]cc(C(C)C3CCCN3)c2c1
InChIInChI=1S/C15H20N2/c1-10-5-6-15-12(8-10)13(9-17-15)11(2)14-4-3-7-16-14/h5-6,8-9,11,14,16-17H,3-4,7H2,1-2H3
InChIKeyNZSRMHCDFKSDGJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds2

About 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole

5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole (PubChem CID 18694425) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
PubChem CID18694425
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
SMILESCc1ccc2[nH]cc(C(C)C3CCCN3)c2c1
InChIInChI=1S/C15H20N2/c1-10-5-6-15-12(8-10)13(9-17-15)11(2)14-4-3-7-16-14/h5-6,8-9,11,14,16-17H,3-4,7H2,1-2H3
InChIKeyNZSRMHCDFKSDGJ-UHFFFAOYSA-N
XLogP3.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole?
The IUPAC name of 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole (CID 18694425) is 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole is Cc1ccc2[nH]cc(C(C)C3CCCN3)c2c1.
What is the InChIKey of 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole?
The InChIKey is NZSRMHCDFKSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-5-6-15-12(8-10)13(9-17-15)11(2)14-4-3-7-16-14/h5-6,8-9,11,14,16-17H,3-4,7H2,1-2H3.
What are the key properties of 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole?
5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole is sourced from PubChem (CID 18694425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).