methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate

C17H23NO4Si — CID 10903744

IUPACmethyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate
SMILESC=CCC1C(OC(=O)C#CC[Si](C)(C)C)=CC=CN1C(=O)OC
InChIInChI=1S/C17H23NO4Si/c1-6-9-14-15(10-7-12-18(14)17(20)21-2)22-16(19)11-8-13-23(3,4)5/h6-7,10,12,14H,1,9,13H2,2-5H3
InChIKeyFULLWSMMPHCHCP-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate

methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate (PubChem CID 10903744) has the molecular formula C17H23NO4Si and a molecular weight of 333.46 g/mol. Its IUPAC name is methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate
PubChem CID10903744
Molecular FormulaC17H23NO4Si
Molecular Weight333.46 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate
SMILESC=CCC1C(OC(=O)C#CC[Si](C)(C)C)=CC=CN1C(=O)OC
InChIInChI=1S/C17H23NO4Si/c1-6-9-14-15(10-7-12-18(14)17(20)21-2)22-16(19)11-8-13-23(3,4)5/h6-7,10,12,14H,1,9,13H2,2-5H3
InChIKeyFULLWSMMPHCHCP-UHFFFAOYSA-N
XLogP3.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate (CID 10903744) is methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate is C=CCC1C(OC(=O)C#CC[Si](C)(C)C)=CC=CN1C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate?
The InChIKey is FULLWSMMPHCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4Si/c1-6-9-14-15(10-7-12-18(14)17(20)21-2)22-16(19)11-8-13-23(3,4)5/h6-7,10,12,14H,1,9,13H2,2-5H3.
What are the key properties of methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate?
methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate has a molecular weight of 333.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enyl-3-(4-trimethylsilylbut-2-ynoyloxy)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10903744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).