4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one

C11H10ClNO2 — CID 126601856

IUPAC4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(O)NC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-11(15)9(6-10(14)13-11)7-2-4-8(12)5-3-7/h2-6,15H,1H3,(H,13,14)
InChIKeyPZQOWENOZPCUSJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.56
Rot. Bonds1

About 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one

4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one (PubChem CID 126601856) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one
PubChem CID126601856
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(O)NC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-11(15)9(6-10(14)13-11)7-2-4-8(12)5-3-7/h2-6,15H,1H3,(H,13,14)
InChIKeyPZQOWENOZPCUSJ-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one (CID 126601856) is 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one is CC1(O)NC(=O)C=C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one?
The InChIKey is PZQOWENOZPCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-11(15)9(6-10(14)13-11)7-2-4-8(12)5-3-7/h2-6,15H,1H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one?
4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-hydroxy-5-methyl-1H-pyrrol-2-one is sourced from PubChem (CID 126601856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).