tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate

C22H27NO2Si — CID 10642616

IUPACtert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cccc3ccccc23)c([Si](C)(C)C)c1
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)25-21(24)23-14-19(20(15-23)26(4,5)6)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3
InChIKeyOYZJGGOOZIWNLK-UHFFFAOYSA-N
MW365.55 g/mol
LogP5.64
Rot. Bonds2

About tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate

tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate (PubChem CID 10642616) has the molecular formula C22H27NO2Si and a molecular weight of 365.55 g/mol. Its IUPAC name is tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate
PubChem CID10642616
Molecular FormulaC22H27NO2Si
Molecular Weight365.55 g/mol
Exact Mass365.18
IUPAC Nametert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cccc3ccccc23)c([Si](C)(C)C)c1
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)25-21(24)23-14-19(20(15-23)26(4,5)6)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3
InChIKeyOYZJGGOOZIWNLK-UHFFFAOYSA-N
XLogP5.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
CID 15851800
tert-butyl pyrido[3,4-b]indole-2-carboxylate
CID 143173317
tert-butyl 3-(4-hydroxybut-1-ynyl)-4-trimethylsilylpyrrole-1-carboxylate
CID 15881409
tert-butyl 4-(8-fluoro-7-naphthalen-1-yl-2-sulfanylidene-1H-quinazolin-4-yl)piperazine-1-carboxylate
CID 170101583
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl 1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 141185155
tert-butyl 3-iodo-7-pyrimidin-2-ylindole-1-carboxylate
CID 177277647
tert-butyl 4-benzylimidazole-1-carboxylate
CID 22958810
tert-butyl 5-[(1R)-1-hydroxy-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboxylate
CID 162413789
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate (CID 10642616) is tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate is CC(C)(C)OC(=O)n1cc(-c2cccc3ccccc23)c([Si](C)(C)C)c1.
What is the InChIKey of tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate?
The InChIKey is OYZJGGOOZIWNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2Si/c1-22(2,3)25-21(24)23-14-19(20(15-23)26(4,5)6)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3.
What are the key properties of tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate?
tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate has a molecular weight of 365.55 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate is sourced from PubChem (CID 10642616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).