3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione

C13H16N2O2 — CID 44576473

IUPAC3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NN2C(=O)CC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)14-15-11(16)8-13(2,3)12(15)17/h4-7,14H,8H2,1-3H3
InChIKeyFFMBBQKKTLUGSA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.11
Rot. Bonds2

About 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione

3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 44576473) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID44576473
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NN2C(=O)CC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)14-15-11(16)8-13(2,3)12(15)17/h4-7,14H,8H2,1-3H3
InChIKeyFFMBBQKKTLUGSA-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione (CID 44576473) is 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione is Cc1ccc(NN2C(=O)CC(C)(C)C2=O)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is FFMBBQKKTLUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)14-15-11(16)8-13(2,3)12(15)17/h4-7,14H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 44576473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).