2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone

C13H19NOS — CID 116570139

IUPAC2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCNC2)s1
InChIInChI=1S/C13H19NOS/c1-3-10-4-5-11(16-10)8-12(15)13(2)6-7-14-9-13/h4-5,14H,3,6-9H2,1-2H3
InChIKeyVCPKEMQOOKSVFG-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.42
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone (PubChem CID 116570139) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
PubChem CID116570139
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCNC2)s1
InChIInChI=1S/C13H19NOS/c1-3-10-4-5-11(16-10)8-12(15)13(2)6-7-14-9-13/h4-5,14H,3,6-9H2,1-2H3
InChIKeyVCPKEMQOOKSVFG-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116570016
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
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
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 116570155
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569488

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone (CID 116570139) is 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone is CCc1ccc(CC(=O)C2(C)CCNC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The InChIKey is VCPKEMQOOKSVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-10-4-5-11(16-10)8-12(15)13(2)6-7-14-9-13/h4-5,14H,3,6-9H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone has a molecular weight of 237.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).