3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole

C17H18N2S — CID 10423921

IUPAC3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)C1
InChIInChI=1S/C17H18N2S/c1-19-7-6-13(11-19)15-10-18-16-5-4-12(9-14(15)16)17-3-2-8-20-17/h2-5,8-10,13,18H,6-7,11H2,1H3
InChIKeyMVFRAIQWDQLKDO-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.32
Rot. Bonds2

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

3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole (PubChem CID 10423921) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole
PubChem CID10423921
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)C1
InChIInChI=1S/C17H18N2S/c1-19-7-6-13(11-19)15-10-18-16-5-4-12(9-14(15)16)17-3-2-8-20-17/h2-5,8-10,13,18H,6-7,11H2,1H3
InChIKeyMVFRAIQWDQLKDO-UHFFFAOYSA-N
XLogP4.32
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole (CID 10423921) is 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole is CN1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole?
The InChIKey is MVFRAIQWDQLKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-19-7-6-13(11-19)15-10-18-16-5-4-12(9-14(15)16)17-3-2-8-20-17/h2-5,8-10,13,18H,6-7,11H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole?
3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole has a molecular weight of 282.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-5-thiophen-2-yl-1H-indole is sourced from PubChem (CID 10423921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).