3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione

C11H15NO3 — CID 79670321

IUPAC3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2CCC(=O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h7-8H,2-6H2,1H3
InChIKeyUBAYDDCQVCMJCY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.89
Rot. Bonds1

About 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione

3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione (PubChem CID 79670321) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione
PubChem CID79670321
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2CCC(=O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h7-8H,2-6H2,1H3
InChIKeyUBAYDDCQVCMJCY-UHFFFAOYSA-N
XLogP0.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(4-oxocyclohexyl)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-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione (CID 79670321) is 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione is CC1CC(=O)N(C2CCC(=O)CC2)C1=O.
What is the InChIKey of 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione?
The InChIKey is UBAYDDCQVCMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione?
3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione has a molecular weight of 209.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 79670321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).