3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one

C11H11NO2 — CID 167496061

IUPAC3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2CC(O)=CC2=O)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-7-10(13)6-11(12)14/h2-6,13H,7H2,1H3
InChIKeyOLUBHJLSVLSMFM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.78
Rot. Bonds1

About 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one

3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 167496061) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID167496061
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2CC(O)=CC2=O)cc1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-7-10(13)6-11(12)14/h2-6,13H,7H2,1H3
InChIKeyOLUBHJLSVLSMFM-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 167496061) is 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(N2CC(O)=CC2=O)cc1.
What is the InChIKey of 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is OLUBHJLSVLSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-7-10(13)6-11(12)14/h2-6,13H,7H2,1H3.
What are the key properties of 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 167496061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).