3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H19NO3Si — CID 175554536

IUPAC3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC=C1O[Si](C)(C)C
InChIInChI=1S/C10H19NO3Si/c1-8-7-11(10(12)13)6-5-9(8)14-15(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13)
InChIKeyZCLZMIXXXPEFMV-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175554536) has the molecular formula C10H19NO3Si and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175554536
Molecular FormulaC10H19NO3Si
Molecular Weight229.35 g/mol
Exact Mass229.11
IUPAC Name3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC=C1O[Si](C)(C)C
InChIInChI=1S/C10H19NO3Si/c1-8-7-11(10(12)13)6-5-9(8)14-15(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13)
InChIKeyZCLZMIXXXPEFMV-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175554536) is 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC1CN(C(=O)O)CC=C1O[Si](C)(C)C.
What is the InChIKey of 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZCLZMIXXXPEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3Si/c1-8-7-11(10(12)13)6-5-9(8)14-15(2,3)4/h5,8H,6-7H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 229.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175554536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).