3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole

C18H20N2S — CID 10266598

IUPAC3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole
SMILESc1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1
InChIInChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2
InChIKeyOYZHICOMJJQVRH-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.53
Rot. Bonds4

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

3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole (PubChem CID 10266598) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole
PubChem CID10266598
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole
SMILESc1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1
InChIInChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2
InChIKeyOYZHICOMJJQVRH-UHFFFAOYSA-N
XLogP4.53
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole (CID 10266598) is 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole is c1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole?
The InChIKey is OYZHICOMJJQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole?
3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole has a molecular weight of 296.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-1H-indole is sourced from PubChem (CID 10266598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).