lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate

C8H12LiNO2Si — CID 142971855

IUPAClithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate
SMILESC[Si](C)(C)c1ccc(C(=O)[O-])[nH]1.[Li+]
InChIInChI=1S/C8H13NO2Si.Li/c1-12(2,3)7-5-4-6(9-7)8(10)11;/h4-5,9H,1-3H3,(H,10,11);/q;+1/p-1
InChIKeySDTRBLUQLGUQEP-UHFFFAOYSA-M
MW189.22 g/mol
LogP-3.07
Rot. Bonds2

About lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate

lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate (PubChem CID 142971855) has the molecular formula C8H12LiNO2Si and a molecular weight of 189.22 g/mol. Its IUPAC name is lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate
PubChem CID142971855
Molecular FormulaC8H12LiNO2Si
Molecular Weight189.22 g/mol
Exact Mass189.08
IUPAC Namelithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate
SMILESC[Si](C)(C)c1ccc(C(=O)[O-])[nH]1.[Li+]
InChIInChI=1S/C8H13NO2Si.Li/c1-12(2,3)7-5-4-6(9-7)8(10)11;/h4-5,9H,1-3H3,(H,10,11);/q;+1/p-1
InChIKeySDTRBLUQLGUQEP-UHFFFAOYSA-M
XLogP-3.07
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate?
The IUPAC name of lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate (CID 142971855) is lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate is C[Si](C)(C)c1ccc(C(=O)[O-])[nH]1.[Li+].
What is the InChIKey of lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate?
The InChIKey is SDTRBLUQLGUQEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO2Si.Li/c1-12(2,3)7-5-4-6(9-7)8(10)11;/h4-5,9H,1-3H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate?
lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate has a molecular weight of 189.22 g/mol, XLogP of -3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-trimethylsilyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 142971855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).