[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C17H16N2OS — CID 110711020

IUPAC[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H16N2OS/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-6,9-10,12,18H,7-8,11H2
InChIKeyYJSKHEKBFFBRGA-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.86
Rot. Bonds2

About [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110711020) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110711020
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H16N2OS/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-6,9-10,12,18H,7-8,11H2
InChIKeyYJSKHEKBFFBRGA-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 87042789
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 110711020) is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YJSKHEKBFFBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-6,9-10,12,18H,7-8,11H2.
What are the key properties of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 296.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110711020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).