3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione

C14H17NO3 — CID 584360

IUPAC3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(C2(C)CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-4-18-11-7-5-10(6-8-11)14(2)9-12(16)15(3)13(14)17/h5-8H,4,9H2,1-3H3
InChIKeyRYCNGLBOVHRQKU-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.73
Rot. Bonds3

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

3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione (PubChem CID 584360) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
PubChem CID584360
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(C2(C)CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-4-18-11-7-5-10(6-8-11)14(2)9-12(16)15(3)13(14)17/h5-8H,4,9H2,1-3H3
InChIKeyRYCNGLBOVHRQKU-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione (CID 584360) is 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione is CCOc1ccc(C2(C)CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is RYCNGLBOVHRQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-18-11-7-5-10(6-8-11)14(2)9-12(16)15(3)13(14)17/h5-8H,4,9H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione?
3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 584360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).