tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate

C19H27NO2SSi — CID 102328142

IUPACtert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate
SMILESC=C(C)c1cc(-c2cccs2)n(C(=O)OC(C)(C)C)c1[Si](C)(C)C
InChIInChI=1S/C19H27NO2SSi/c1-13(2)14-12-15(16-10-9-11-23-16)20(17(14)24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3
InChIKeyIUQLPMWXJGIFHI-UHFFFAOYSA-N
MW361.58 g/mol
LogP5.58
Rot. Bonds3

About tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate

tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate (PubChem CID 102328142) has the molecular formula C19H27NO2SSi and a molecular weight of 361.58 g/mol. Its IUPAC name is tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate
PubChem CID102328142
Molecular FormulaC19H27NO2SSi
Molecular Weight361.58 g/mol
Exact Mass361.15
IUPAC Nametert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate
SMILESC=C(C)c1cc(-c2cccs2)n(C(=O)OC(C)(C)C)c1[Si](C)(C)C
InChIInChI=1S/C19H27NO2SSi/c1-13(2)14-12-15(16-10-9-11-23-16)20(17(14)24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3
InChIKeyIUQLPMWXJGIFHI-UHFFFAOYSA-N
XLogP5.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 135061190
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801
tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate
CID 66709326
tert-butyl 5-oxo-3-thiophen-2-yl-2H-pyrrole-1-carboxylate
CID 102151559
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-5-thiophen-2-ylpyrazole-3-carboxylate
CID 138857616
tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 68777852
tert-butyl 5-thiophen-2-yl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;methane
CID 157154723
tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate
CID 42685560
tert-butyl 4-[3,7-dioxo-7-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptyl]piperazine-1-carboxylate
CID 160563650
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
CID 174948003
tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate
CID 102225154
tert-butyl 7-thiophen-2-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171973740

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate (CID 102328142) is tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate is C=C(C)c1cc(-c2cccs2)n(C(=O)OC(C)(C)C)c1[Si](C)(C)C.
What is the InChIKey of tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate?
The InChIKey is IUQLPMWXJGIFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2SSi/c1-13(2)14-12-15(16-10-9-11-23-16)20(17(14)24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3.
What are the key properties of tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate?
tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate has a molecular weight of 361.58 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate is sourced from PubChem (CID 102328142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).