1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone

C12H17NOS — CID 43227597

IUPAC1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(C(=O)CN2CCCC2)s1
InChIInChI=1S/C12H17NOS/c1-2-10-5-6-12(15-10)11(14)9-13-7-3-4-8-13/h5-6H,2-4,7-9H2,1H3
InChIKeyRNEZEGLPOPRGLW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.59
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone

1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 43227597) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
PubChem CID43227597
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(C(=O)CN2CCCC2)s1
InChIInChI=1S/C12H17NOS/c1-2-10-5-6-12(15-10)11(14)9-13-7-3-4-8-13/h5-6H,2-4,7-9H2,1H3
InChIKeyRNEZEGLPOPRGLW-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61445237
1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
CID 114237526
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61219184
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113418108
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
CID 60680384
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 114082271
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62037634
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43228673
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024336

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone (CID 43227597) is 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone is CCc1ccc(C(=O)CN2CCCC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is RNEZEGLPOPRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-10-5-6-12(15-10)11(14)9-13-7-3-4-8-13/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone?
1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43227597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).