methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate

C20H25NO3Si — CID 102158085

IUPACmethyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate
SMILESC=CC1=CC(Cc2ccccc2)(C(=O)OC)NC(=O)/C1=C\[Si](C)(C)C
InChIInChI=1S/C20H25NO3Si/c1-6-16-13-20(19(23)24-2,12-15-10-8-7-9-11-15)21-18(22)17(16)14-25(3,4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,22)/b17-14-
InChIKeyXSYGGQGIWZDFHI-VKAVYKQESA-N
MW355.51 g/mol
LogP3.19
Rot. Bonds5

About methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate

methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate (PubChem CID 102158085) has the molecular formula C20H25NO3Si and a molecular weight of 355.51 g/mol. Its IUPAC name is methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate
PubChem CID102158085
Molecular FormulaC20H25NO3Si
Molecular Weight355.51 g/mol
Exact Mass355.16
IUPAC Namemethyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate
SMILESC=CC1=CC(Cc2ccccc2)(C(=O)OC)NC(=O)/C1=C\[Si](C)(C)C
InChIInChI=1S/C20H25NO3Si/c1-6-16-13-20(19(23)24-2,12-15-10-8-7-9-11-15)21-18(22)17(16)14-25(3,4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,22)/b17-14-
InChIKeyXSYGGQGIWZDFHI-VKAVYKQESA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate?
The IUPAC name of methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate (CID 102158085) is methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate is C=CC1=CC(Cc2ccccc2)(C(=O)OC)NC(=O)/C1=C\[Si](C)(C)C.
What is the InChIKey of methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate?
The InChIKey is XSYGGQGIWZDFHI-VKAVYKQESA-N. The full InChI is InChI=1S/C20H25NO3Si/c1-6-16-13-20(19(23)24-2,12-15-10-8-7-9-11-15)21-18(22)17(16)14-25(3,4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,22)/b17-14-.
What are the key properties of methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate?
methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate has a molecular weight of 355.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-2-benzyl-4-ethenyl-6-oxo-5-(trimethylsilylmethylidene)-1H-pyridine-2-carboxylate is sourced from PubChem (CID 102158085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).