tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate

C13H25NO2Si — CID 10015249

IUPACtert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1[Si](C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17(4,5)6/h9H,7-8,10H2,1-6H3
InChIKeyKTVZRIIBNIVBDD-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10015249) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10015249
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Nametert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1[Si](C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17(4,5)6/h9H,7-8,10H2,1-6H3
InChIKeyKTVZRIIBNIVBDD-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
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 tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10015249) is tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC=C1[Si](C)(C)C.
What is the InChIKey of tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KTVZRIIBNIVBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17(4,5)6/h9H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 255.43 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).