1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione

C11H15NO2 — CID 155064693

IUPAC1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C11H15NO2/c1-6-8-7(2)9(13)12(10(8)14)11(3,4)5/h6H,1H2,2-5H3
InChIKeyTYTFZLORVICNKA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds1

About 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione

1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione (PubChem CID 155064693) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione
PubChem CID155064693
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C11H15NO2/c1-6-8-7(2)9(13)12(10(8)14)11(3,4)5/h6H,1H2,2-5H3
InChIKeyTYTFZLORVICNKA-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-ethenyl-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 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione?
The IUPAC name of 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione (CID 155064693) is 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione?
The canonical SMILES for 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione is C=CC1=C(C)C(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione?
The InChIKey is TYTFZLORVICNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-8-7(2)9(13)12(10(8)14)11(3,4)5/h6H,1H2,2-5H3.
What are the key properties of 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione?
1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 155064693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).