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

C11H11NO2 — CID 3728438

IUPAC3-methyl-4-phenylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14)
InChIKeyBCLBGXKRVJVNMU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.06
Rot. Bonds1

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

3-methyl-4-phenylpyrrolidine-2,5-dione (PubChem CID 3728438) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-methyl-4-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-phenylpyrrolidine-2,5-dione
PubChem CID3728438
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-methyl-4-phenylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14)
InChIKeyBCLBGXKRVJVNMU-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
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-methyl-4-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-phenylpyrrolidine-2,5-dione (CID 3728438) is 3-methyl-4-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-phenylpyrrolidine-2,5-dione is CC1C(=O)NC(=O)C1c1ccccc1.
What is the InChIKey of 3-methyl-4-phenylpyrrolidine-2,5-dione?
The InChIKey is BCLBGXKRVJVNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14).
What are the key properties of 3-methyl-4-phenylpyrrolidine-2,5-dione?
3-methyl-4-phenylpyrrolidine-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3728438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).