ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate

C17H31NO2Si — CID 90387563

IUPACethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
SMILESCCOC(=O)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1C
InChIInChI=1S/C17H31NO2Si/c1-9-20-17(19)16-10-11-18(15(16)8)21(12(2)3,13(4)5)14(6)7/h10-14H,9H2,1-8H3
InChIKeyWRLJXAGCOVJDAF-UHFFFAOYSA-N
MW309.53 g/mol
LogP5.00
Rot. Bonds6

About ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate

ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate (PubChem CID 90387563) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
PubChem CID90387563
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC Nameethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
SMILESCCOC(=O)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1C
InChIInChI=1S/C17H31NO2Si/c1-9-20-17(19)16-10-11-18(15(16)8)21(12(2)3,13(4)5)14(6)7/h10-14H,9H2,1-8H3
InChIKeyWRLJXAGCOVJDAF-UHFFFAOYSA-N
XLogP5.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 55.00
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

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ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
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diethyl phenazine-1,6-dicarboxylate
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ethyl 2-amino-1-propan-2-ylsulfonylbenzimidazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate (CID 90387563) is ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate is CCOC(=O)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1C.
What is the InChIKey of ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate?
The InChIKey is WRLJXAGCOVJDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-9-20-17(19)16-10-11-18(15(16)8)21(12(2)3,13(4)5)14(6)7/h10-14H,9H2,1-8H3.
What are the key properties of ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate?
ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate has a molecular weight of 309.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate is sourced from PubChem (CID 90387563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).