(3R)-3-thiophen-2-ylpyrrolidin-2-one

C8H9NOS — CID 94826947

IUPAC(3R)-3-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1NCC[C@H]1c1cccs1
InChIInChI=1S/C8H9NOS/c10-8-6(3-4-9-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2,(H,9,10)/t6-/m0/s1
InChIKeyDHWBIOFHRZIVHO-LURJTMIESA-N
MW167.23 g/mol
LogP1.35
Rot. Bonds1

About (3R)-3-thiophen-2-ylpyrrolidin-2-one

(3R)-3-thiophen-2-ylpyrrolidin-2-one (PubChem CID 94826947) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (3R)-3-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-thiophen-2-ylpyrrolidin-2-one
PubChem CID94826947
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(3R)-3-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1NCC[C@H]1c1cccs1
InChIInChI=1S/C8H9NOS/c10-8-6(3-4-9-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2,(H,9,10)/t6-/m0/s1
InChIKeyDHWBIOFHRZIVHO-LURJTMIESA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-thiophen-2-ylpyrrolidin-2-one (CID 94826947) is (3R)-3-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-thiophen-2-ylpyrrolidin-2-one is O=C1NCC[C@H]1c1cccs1.
What is the InChIKey of (3R)-3-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is DHWBIOFHRZIVHO-LURJTMIESA-N. The full InChI is InChI=1S/C8H9NOS/c10-8-6(3-4-9-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (3R)-3-thiophen-2-ylpyrrolidin-2-one?
(3R)-3-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 167.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 94826947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).