1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C17H16N2OS — CID 60958650

IUPAC1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCC1c1cccs1
InChIInChI=1S/C17H16N2OS/c20-17(13-4-1-5-14-12(13)8-9-18-14)19-10-2-6-15(19)16-7-3-11-21-16/h1,3-5,7-9,11,15,18H,2,6,10H2
InChIKeyOOLKTUDPJJYIOH-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.21
Rot. Bonds2

About 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 60958650) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID60958650
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCC1c1cccs1
InChIInChI=1S/C17H16N2OS/c20-17(13-4-1-5-14-12(13)8-9-18-14)19-10-2-6-15(19)16-7-3-11-21-16/h1,3-5,7-9,11,15,18H,2,6,10H2
InChIKeyOOLKTUDPJJYIOH-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 56825846
(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288
(2S)-1-(1H-indole-4-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 96569369
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
4-(1H-indol-3-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butan-1-one
CID 8010073
(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115824
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 60958650) is 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCCC1c1cccs1.
What is the InChIKey of 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is OOLKTUDPJJYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(13-4-1-5-14-12(13)8-9-18-14)19-10-2-6-15(19)16-7-3-11-21-16/h1,3-5,7-9,11,15,18H,2,6,10H2.
What are the key properties of 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60958650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).