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

C11H15NOS — CID 116569911

IUPAC1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
SMILESCC1(C(=O)Cc2cccs2)CCNC1
InChIInChI=1S/C11H15NOS/c1-11(4-5-12-8-11)10(13)7-9-3-2-6-14-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeySWNHYRCVVPEIGG-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.86
Rot. Bonds3

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

1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone (PubChem CID 116569911) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
PubChem CID116569911
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
SMILESCC1(C(=O)Cc2cccs2)CCNC1
InChIInChI=1S/C11H15NOS/c1-11(4-5-12-8-11)10(13)7-9-3-2-6-14-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeySWNHYRCVVPEIGG-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

1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116570016
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 115273147
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone (CID 116569911) is 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone is CC1(C(=O)Cc2cccs2)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is SWNHYRCVVPEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(4-5-12-8-11)10(13)7-9-3-2-6-14-9/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone?
1-(3-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-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116569911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).