3-cyclohexyl-4-methylpyrrole-2,5-dione

C11H15NO2 — CID 19910844

IUPAC3-cyclohexyl-4-methylpyrrole-2,5-dione
SMILESCC1=C(C2CCCCC2)C(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14)
InChIKeyULLFBJLTRJKSNY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.54
Rot. Bonds1

About 3-cyclohexyl-4-methylpyrrole-2,5-dione

3-cyclohexyl-4-methylpyrrole-2,5-dione (PubChem CID 19910844) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclohexyl-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-4-methylpyrrole-2,5-dione
PubChem CID19910844
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-cyclohexyl-4-methylpyrrole-2,5-dione
SMILESCC1=C(C2CCCCC2)C(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14)
InChIKeyULLFBJLTRJKSNY-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-4-methylpyrrole-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-cyclohexyl-4-methylpyrrole-2,5-dione?
The IUPAC name of 3-cyclohexyl-4-methylpyrrole-2,5-dione (CID 19910844) is 3-cyclohexyl-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-4-methylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclohexyl-4-methylpyrrole-2,5-dione is CC1=C(C2CCCCC2)C(=O)NC1=O.
What is the InChIKey of 3-cyclohexyl-4-methylpyrrole-2,5-dione?
The InChIKey is ULLFBJLTRJKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 3-cyclohexyl-4-methylpyrrole-2,5-dione?
3-cyclohexyl-4-methylpyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 19910844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).