4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one

C14H16ClNO2 — CID 72707158

IUPAC4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one
SMILESCC(C)CN1C(=O)C=C(Cl)C1(O)c1ccccc1
InChIInChI=1S/C14H16ClNO2/c1-10(2)9-16-13(17)8-12(15)14(16,18)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3
InChIKeyZHJMELMYXXSCOP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one

4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one (PubChem CID 72707158) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one
PubChem CID72707158
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one
SMILESCC(C)CN1C(=O)C=C(Cl)C1(O)c1ccccc1
InChIInChI=1S/C14H16ClNO2/c1-10(2)9-16-13(17)8-12(15)14(16,18)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3
InChIKeyZHJMELMYXXSCOP-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one?
The IUPAC name of 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one (CID 72707158) is 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one.
What is the SMILES notation for 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one?
The canonical SMILES for 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one is CC(C)CN1C(=O)C=C(Cl)C1(O)c1ccccc1.
What is the InChIKey of 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one?
The InChIKey is ZHJMELMYXXSCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(2)9-16-13(17)8-12(15)14(16,18)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one?
4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-1-(2-methylpropyl)-5-phenylpyrrol-2-one is sourced from PubChem (CID 72707158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).