3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one

C9H9NO2S — CID 54747975

IUPAC3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(c2cccs2)C1=O
InChIInChI=1S/C9H9NO2S/c1-10-5-6(11)8(9(10)12)7-3-2-4-13-7/h2-4,11H,5H2,1H3
InChIKeyOYYCYBJVSZEQOG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.49
Rot. Bonds1

About 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one

3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 54747975) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID54747975
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(c2cccs2)C1=O
InChIInChI=1S/C9H9NO2S/c1-10-5-6(11)8(9(10)12)7-3-2-4-13-7/h2-4,11H,5H2,1H3
InChIKeyOYYCYBJVSZEQOG-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one (CID 54747975) is 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one is CN1CC(O)=C(c2cccs2)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is OYYCYBJVSZEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-10-5-6(11)8(9(10)12)7-3-2-4-13-7/h2-4,11H,5H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one?
3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 195.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-4-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 54747975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).