1-thiophen-2-ylpyrrolidin-2-one

C8H9NOS — CID 11367213

IUPAC1-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccs1
InChIInChI=1S/C8H9NOS/c10-7-3-1-5-9(7)8-4-2-6-11-8/h2,4,6H,1,3,5H2
InChIKeyULFKNSKUUSXLOO-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.87
Rot. Bonds1

About 1-thiophen-2-ylpyrrolidin-2-one

1-thiophen-2-ylpyrrolidin-2-one (PubChem CID 11367213) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-thiophen-2-ylpyrrolidin-2-one
PubChem CID11367213
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccs1
InChIInChI=1S/C8H9NOS/c10-7-3-1-5-9(7)8-4-2-6-11-8/h2,4,6H,1,3,5H2
InChIKeyULFKNSKUUSXLOO-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of 1-thiophen-2-ylpyrrolidin-2-one (CID 11367213) is 1-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-thiophen-2-ylpyrrolidin-2-one is O=C1CCCN1c1cccs1.
What is the InChIKey of 1-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is ULFKNSKUUSXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-7-3-1-5-9(7)8-4-2-6-11-8/h2,4,6H,1,3,5H2.
What are the key properties of 1-thiophen-2-ylpyrrolidin-2-one?
1-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 167.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 11367213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).