tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C19H29NO2Si — CID 59628496

IUPACtert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO2Si/c1-19(2,3)22-18(21)20-13-11-17(12-14-20)23(4,5)15-16-9-7-6-8-10-16/h6-11H,12-15H2,1-5H3
InChIKeyYPUGTENWCUBKGS-UHFFFAOYSA-N
MW331.53 g/mol
LogP4.58
Rot. Bonds3

About tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59628496) has the molecular formula C19H29NO2Si and a molecular weight of 331.53 g/mol. Its IUPAC name is tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59628496
Molecular FormulaC19H29NO2Si
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC Nametert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO2Si/c1-19(2,3)22-18(21)20-13-11-17(12-14-20)23(4,5)15-16-9-7-6-8-10-16/h6-11H,12-15H2,1-5H3
InChIKeyYPUGTENWCUBKGS-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 54.58
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 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59628496) is tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YPUGTENWCUBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2Si/c1-19(2,3)22-18(21)20-13-11-17(12-14-20)23(4,5)15-16-9-7-6-8-10-16/h6-11H,12-15H2,1-5H3.
What are the key properties of tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 331.53 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59628496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).