3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione

C16H19NO3 — CID 62024199

IUPAC3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)c(C(=O)CN2C(=O)CC(C)C2=O)c(C)c1
InChIInChI=1S/C16H19NO3/c1-9-5-10(2)15(11(3)6-9)13(18)8-17-14(19)7-12(4)16(17)20/h5-6,12H,7-8H2,1-4H3
InChIKeyLZAJMZGVBXMXTG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 62024199) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID62024199
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)c(C(=O)CN2C(=O)CC(C)C2=O)c(C)c1
InChIInChI=1S/C16H19NO3/c1-9-5-10(2)15(11(3)6-9)13(18)8-17-14(19)7-12(4)16(17)20/h5-6,12H,7-8H2,1-4H3
InChIKeyLZAJMZGVBXMXTG-UHFFFAOYSA-N
XLogP2.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.19
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-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione (CID 62024199) is 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione is Cc1cc(C)c(C(=O)CN2C(=O)CC(C)C2=O)c(C)c1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LZAJMZGVBXMXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-5-10(2)15(11(3)6-9)13(18)8-17-14(19)7-12(4)16(17)20/h5-6,12H,7-8H2,1-4H3.
What are the key properties of 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 273.33 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 3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62024199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).