3,4-di(propan-2-yl)pyrrole-2,5-dione

C10H15NO2 — CID 23529133

IUPAC3,4-di(propan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C1=C(C(C)C)C(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-5(2)7-8(6(3)4)10(13)11-9(7)12/h5-6H,1-4H3,(H,11,12,13)
InChIKeyPOTLQZCYXNGDQJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds2

About 3,4-di(propan-2-yl)pyrrole-2,5-dione

3,4-di(propan-2-yl)pyrrole-2,5-dione (PubChem CID 23529133) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-di(propan-2-yl)pyrrole-2,5-dione
PubChem CID23529133
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,4-di(propan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C1=C(C(C)C)C(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-5(2)7-8(6(3)4)10(13)11-9(7)12/h5-6H,1-4H3,(H,11,12,13)
InChIKeyPOTLQZCYXNGDQJ-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-di(propan-2-yl)pyrrole-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 3,4-di(propan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-di(propan-2-yl)pyrrole-2,5-dione (CID 23529133) is 3,4-di(propan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-di(propan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-di(propan-2-yl)pyrrole-2,5-dione is CC(C)C1=C(C(C)C)C(=O)NC1=O.
What is the InChIKey of 3,4-di(propan-2-yl)pyrrole-2,5-dione?
The InChIKey is POTLQZCYXNGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5(2)7-8(6(3)4)10(13)11-9(7)12/h5-6H,1-4H3,(H,11,12,13).
What are the key properties of 3,4-di(propan-2-yl)pyrrole-2,5-dione?
3,4-di(propan-2-yl)pyrrole-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23529133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).