4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione

C10H13NO3 — CID 58482923

IUPAC4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione
SMILESCC(C)(C)C(=O)C1=CC(=O)NC(=O)C1
InChIInChI=1S/C10H13NO3/c1-10(2,3)9(14)6-4-7(12)11-8(13)5-6/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeyZTBFIWHHBGLTEA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione

4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione (PubChem CID 58482923) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione
PubChem CID58482923
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione
SMILESCC(C)(C)C(=O)C1=CC(=O)NC(=O)C1
InChIInChI=1S/C10H13NO3/c1-10(2,3)9(14)6-4-7(12)11-8(13)5-6/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeyZTBFIWHHBGLTEA-UHFFFAOYSA-N
XLogP0.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione (CID 58482923) is 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione is CC(C)(C)C(=O)C1=CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione?
The InChIKey is ZTBFIWHHBGLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)9(14)6-4-7(12)11-8(13)5-6/h4H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione?
4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione has a molecular weight of 195.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione is sourced from PubChem (CID 58482923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).