1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone

C11H15NOS — CID 116592024

IUPAC1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
SMILESCC1NCCC1C(=O)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-8-10(4-5-12-8)11(13)7-9-3-2-6-14-9/h2-3,6,8,10,12H,4-5,7H2,1H3
InChIKeyXJCYZBKKHIJMFX-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone

1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone (PubChem CID 116592024) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
PubChem CID116592024
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
SMILESCC1NCCC1C(=O)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-8-10(4-5-12-8)11(13)7-9-3-2-6-14-9/h2-3,6,8,10,12H,4-5,7H2,1H3
InChIKeyXJCYZBKKHIJMFX-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79389328
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
CID 116592173
1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 112739545
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
CID 80527266
1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
CID 66476524
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 1093249

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone (CID 116592024) is 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone is CC1NCCC1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is XJCYZBKKHIJMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-10(4-5-12-8)11(13)7-9-3-2-6-14-9/h2-3,6,8,10,12H,4-5,7H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 209.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116592024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).