3-(2-thiophen-2-ylethyl)pyrrolidin-2-one

C10H13NOS — CID 104679380

IUPAC3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCc1cccs1
InChIInChI=1S/C10H13NOS/c12-10-8(5-6-11-10)3-4-9-2-1-7-13-9/h1-2,7-8H,3-6H2,(H,11,12)
InChIKeyMXXCEWQBQAEGFL-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.82
Rot. Bonds3

About 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one

3-(2-thiophen-2-ylethyl)pyrrolidin-2-one (PubChem CID 104679380) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
PubChem CID104679380
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCc1cccs1
InChIInChI=1S/C10H13NOS/c12-10-8(5-6-11-10)3-4-9-2-1-7-13-9/h1-2,7-8H,3-6H2,(H,11,12)
InChIKeyMXXCEWQBQAEGFL-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774196
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
N-(2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 45497316
5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
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2-[2-(2-bromocyclopentyl)ethyl]thiophene
CID 63774443
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64885638
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one (CID 104679380) is 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one is O=C1NCCC1CCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one?
The InChIKey is MXXCEWQBQAEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-10-8(5-6-11-10)3-4-9-2-1-7-13-9/h1-2,7-8H,3-6H2,(H,11,12).
What are the key properties of 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one?
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 104679380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).