3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione

C13H15NO2 — CID 2925648

IUPAC3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeySGHKSYFGHLNVHE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds2

About 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione

3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 2925648) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
PubChem CID2925648
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeySGHKSYFGHLNVHE-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione (CID 2925648) is 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SGHKSYFGHLNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2925648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).