4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide

C11H16N2O3 — CID 166990792

IUPAC4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(16)12-3)6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16)
InChIKeyZNXVIHFTQXIBBZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide

4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide (PubChem CID 166990792) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide
PubChem CID166990792
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(16)12-3)6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16)
InChIKeyZNXVIHFTQXIBBZ-UHFFFAOYSA-N
XLogP0.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide 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 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide (CID 166990792) is 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide is CNC(=O)C(C)(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide?
The InChIKey is ZNXVIHFTQXIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,10(16)12-3)6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide?
4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 166990792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).