1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one

C14H19NO2S — CID 79540609

IUPAC1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCCc1ccc(C(=O)N2CCCC2CC(C)=O)s1
InChIInChI=1S/C14H19NO2S/c1-3-12-6-7-13(18-12)14(17)15-8-4-5-11(15)9-10(2)16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyHDLMZFUOIRPCAP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79540609) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79540609
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCCc1ccc(C(=O)N2CCCC2CC(C)=O)s1
InChIInChI=1S/C14H19NO2S/c1-3-12-6-7-13(18-12)14(17)15-8-4-5-11(15)9-10(2)16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyHDLMZFUOIRPCAP-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466
tert-butyl 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724054
tert-butyl (2R)-1-(5-ethylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80998732
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541209
N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 56779315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79540609) is 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one is CCc1ccc(C(=O)N2CCCC2CC(C)=O)s1.
What is the InChIKey of 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is HDLMZFUOIRPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-12-6-7-13(18-12)14(17)15-8-4-5-11(15)9-10(2)16/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 265.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79540609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).