4-methyl-4-thiophen-3-ylpyrrolidin-2-one

C9H11NOS — CID 66108033

IUPAC4-methyl-4-thiophen-3-ylpyrrolidin-2-one
SMILESCC1(c2ccsc2)CNC(=O)C1
InChIInChI=1S/C9H11NOS/c1-9(4-8(11)10-6-9)7-2-3-12-5-7/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKeyIYYDQPRTUSNYQK-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.53
Rot. Bonds1

About 4-methyl-4-thiophen-3-ylpyrrolidin-2-one

4-methyl-4-thiophen-3-ylpyrrolidin-2-one (PubChem CID 66108033) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-methyl-4-thiophen-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-thiophen-3-ylpyrrolidin-2-one
PubChem CID66108033
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4-methyl-4-thiophen-3-ylpyrrolidin-2-one
SMILESCC1(c2ccsc2)CNC(=O)C1
InChIInChI=1S/C9H11NOS/c1-9(4-8(11)10-6-9)7-2-3-12-5-7/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKeyIYYDQPRTUSNYQK-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-thiophen-3-ylpyrrolidin-2-one?
The IUPAC name of 4-methyl-4-thiophen-3-ylpyrrolidin-2-one (CID 66108033) is 4-methyl-4-thiophen-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-thiophen-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-thiophen-3-ylpyrrolidin-2-one is CC1(c2ccsc2)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-thiophen-3-ylpyrrolidin-2-one?
The InChIKey is IYYDQPRTUSNYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(4-8(11)10-6-9)7-2-3-12-5-7/h2-3,5H,4,6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-4-thiophen-3-ylpyrrolidin-2-one?
4-methyl-4-thiophen-3-ylpyrrolidin-2-one has a molecular weight of 181.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-thiophen-3-ylpyrrolidin-2-one is sourced from PubChem (CID 66108033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).