tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate

C12H23NO3Si — CID 135017675

IUPACtert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC(O[Si](C)(C)C)C1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)15-11(14)13-8-7-10(9-13)16-17(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeySWBJRVQGOHIBAP-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate

tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate (PubChem CID 135017675) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate
PubChem CID135017675
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Nametert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC(O[Si](C)(C)C)C1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)15-11(14)13-8-7-10(9-13)16-17(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeySWBJRVQGOHIBAP-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate (CID 135017675) is tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1C=CC(O[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is SWBJRVQGOHIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-12(2,3)15-11(14)13-8-7-10(9-13)16-17(4,5)6/h7-8,10H,9H2,1-6H3.
What are the key properties of tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate?
tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 257.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-trimethylsilyloxy-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 135017675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).