3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione

C13H15NO2 — CID 19438036

IUPAC3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
SMILESCCC1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-10-11(15)13(2,14-12(10)16)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,16)
InChIKeySUPXODOTDNRKCK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.63
Rot. Bonds2

About 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione

3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione (PubChem CID 19438036) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
PubChem CID19438036
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
SMILESCCC1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-10-11(15)13(2,14-12(10)16)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,16)
InChIKeySUPXODOTDNRKCK-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.63
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 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione (CID 19438036) is 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione is CCC1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione?
The InChIKey is SUPXODOTDNRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-11(15)13(2,14-12(10)16)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione?
3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione has a molecular weight of 217.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione is sourced from PubChem (CID 19438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).