1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione

C15H19NO3 — CID 177475011

IUPAC1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
SMILESCCN1C(=O)C(C)(C)C(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-5-16-12(13(17)15(2,3)14(16)18)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3
InChIKeyBRNIZGNXRLOISU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds3

About 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione

1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione (PubChem CID 177475011) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
PubChem CID177475011
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
SMILESCCN1C(=O)C(C)(C)C(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-5-16-12(13(17)15(2,3)14(16)18)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3
InChIKeyBRNIZGNXRLOISU-UHFFFAOYSA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
4-hydroxy-2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propanoyl-2H-pyrrol-5-one
CID 108689215
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
5-ethyl-2-(4-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261732
(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7188451
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136139
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
3-ethyl-2-(4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239781
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione (CID 177475011) is 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione is CCN1C(=O)C(C)(C)C(=O)C1c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The InChIKey is BRNIZGNXRLOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-16-12(13(17)15(2,3)14(16)18)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione?
1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 177475011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).