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

C22H29NO3 — CID 10132885

IUPAC2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1
InChIInChI=1S/C22H29NO3/c1-14-10-12-16(13-11-14)23-18(15-8-6-5-7-9-15)17(19(24)21(23)26)20(25)22(2,3)4/h10-13,15,18,24H,5-9H2,1-4H3
InChIKeyCOCOWIOUVHRNJM-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.72
Rot. Bonds3

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

2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 10132885) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID10132885
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1
InChIInChI=1S/C22H29NO3/c1-14-10-12-16(13-11-14)23-18(15-8-6-5-7-9-15)17(19(24)21(23)26)20(25)22(2,3)4/h10-13,15,18,24H,5-9H2,1-4H3
InChIKeyCOCOWIOUVHRNJM-UHFFFAOYSA-N
XLogP4.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-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 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 10132885) is 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is COCOWIOUVHRNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-14-10-12-16(13-11-14)23-18(15-8-6-5-7-9-15)17(19(24)21(23)26)20(25)22(2,3)4/h10-13,15,18,24H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 355.48 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 10132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).