3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid

C10H17NO3Si — CID 123484224

IUPAC3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=C([Si](C)(C)C)C(=O)CN(C(=O)O)C1
InChIInChI=1S/C10H17NO3Si/c1-7-5-11(10(13)14)6-8(12)9(7)15(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyPPLSIAMJMVNIMK-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.74
Rot. Bonds1

About 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid

3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid (PubChem CID 123484224) has the molecular formula C10H17NO3Si and a molecular weight of 227.34 g/mol. Its IUPAC name is 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid
PubChem CID123484224
Molecular FormulaC10H17NO3Si
Molecular Weight227.34 g/mol
Exact Mass227.10
IUPAC Name3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1=C([Si](C)(C)C)C(=O)CN(C(=O)O)C1
InChIInChI=1S/C10H17NO3Si/c1-7-5-11(10(13)14)6-8(12)9(7)15(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyPPLSIAMJMVNIMK-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid 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-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid (CID 123484224) is 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid is CC1=C([Si](C)(C)C)C(=O)CN(C(=O)O)C1.
What is the InChIKey of 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid?
The InChIKey is PPLSIAMJMVNIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3Si/c1-7-5-11(10(13)14)6-8(12)9(7)15(2,3)4/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid?
3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid has a molecular weight of 227.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 123484224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).