5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione

C18H23NO2 — CID 68706925

IUPAC5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C18H23NO2/c1-5-12-9-10(2)8-11(3)14(12)15-16(20)18(4,13-6-7-13)19-17(15)21/h8-9,13,15H,5-7H2,1-4H3,(H,19,21)
InChIKeyMOFLNIBNGIXPMT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds3

About 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione

5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione (PubChem CID 68706925) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione
PubChem CID68706925
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C18H23NO2/c1-5-12-9-10(2)8-11(3)14(12)15-16(20)18(4,13-6-7-13)19-17(15)21/h8-9,13,15H,5-7H2,1-4H3,(H,19,21)
InChIKeyMOFLNIBNGIXPMT-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione (CID 68706925) is 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione is CCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione?
The InChIKey is MOFLNIBNGIXPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-12-9-10(2)8-11(3)14(12)15-16(20)18(4,13-6-7-13)19-17(15)21/h8-9,13,15H,5-7H2,1-4H3,(H,19,21).
What are the key properties of 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione?
5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 68706925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).