tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate

C14H25NO3Si — CID 53242898

IUPACtert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1C(O)C[Si](C)(C)C
InChIInChI=1S/C14H25NO3Si/c1-14(2,3)18-13(17)15-9-7-8-11(15)12(16)10-19(4,5)6/h7-9,12,16H,10H2,1-6H3
InChIKeyJDAASAZDBFJNMG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate

tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate (PubChem CID 53242898) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate
PubChem CID53242898
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1C(O)C[Si](C)(C)C
InChIInChI=1S/C14H25NO3Si/c1-14(2,3)18-13(17)15-9-7-8-11(15)12(16)10-19(4,5)6/h7-9,12,16H,10H2,1-6H3
InChIKeyJDAASAZDBFJNMG-UHFFFAOYSA-N
XLogP3.64
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
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-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrrole-1-carboxylate
CID 171865401
tert-butyl 2-[(E)-1-hydroxy-2-methyl-3-oxo-5-phenylpent-4-enyl]pyrrole-1-carboxylate
CID 102510563
tert-butyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanylpyrrole-1-carboxylate
CID 10499010
tert-butyl 2-[1-(1-benzofuran-2-yl)-3-methylbutyl]pyrrole-1-carboxylate
CID 71740402
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801
tert-butyl 2-benzoylpyrrole-1-carboxylate
CID 12679450
tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
CID 15851800
tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-1-carboxylate
CID 140967024
tert-butyl 2-[(1S,2R,3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7-ethoxy-2,4-dimethyl-7-oxoheptyl]pyrrole-1-carboxylate
CID 102499956
tert-butyl 2-[(E)-2-[2-[(E)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]ethenyl]phenyl]ethenyl]pyrrole-1-carboxylate
CID 102376749
tert-butyl 2-[2-(dibenzylamino)-3-hydroxy-3-phenylpropyl]pyrrole-1-carboxylate
CID 69334638
tert-butyl 2-(3-aminophenyl)pyrrole-1-carboxylate
CID 22461192

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate (CID 53242898) is tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1cccc1C(O)C[Si](C)(C)C.
What is the InChIKey of tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate?
The InChIKey is JDAASAZDBFJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-14(2,3)18-13(17)15-9-7-8-11(15)12(16)10-19(4,5)6/h7-9,12,16H,10H2,1-6H3.
What are the key properties of tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate?
tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate has a molecular weight of 283.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate is sourced from PubChem (CID 53242898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).