2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one

C15H20N2O2Si — CID 177212662

IUPAC2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one
SMILESCC1OCCN(c2ccc(C#C[Si](C)(C)C)nc2)C1=O
InChIInChI=1S/C15H20N2O2Si/c1-12-15(18)17(8-9-19-12)14-6-5-13(16-11-14)7-10-20(2,3)4/h5-6,11-12H,8-9H2,1-4H3
InChIKeyHFCMUTOSOCBQOO-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one

2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one (PubChem CID 177212662) has the molecular formula C15H20N2O2Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one
PubChem CID177212662
Molecular FormulaC15H20N2O2Si
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one
SMILESCC1OCCN(c2ccc(C#C[Si](C)(C)C)nc2)C1=O
InChIInChI=1S/C15H20N2O2Si/c1-12-15(18)17(8-9-19-12)14-6-5-13(16-11-14)7-10-20(2,3)4/h5-6,11-12H,8-9H2,1-4H3
InChIKeyHFCMUTOSOCBQOO-UHFFFAOYSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one?
The IUPAC name of 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one (CID 177212662) is 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one is CC1OCCN(c2ccc(C#C[Si](C)(C)C)nc2)C1=O.
What is the InChIKey of 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one?
The InChIKey is HFCMUTOSOCBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2Si/c1-12-15(18)17(8-9-19-12)14-6-5-13(16-11-14)7-10-20(2,3)4/h5-6,11-12H,8-9H2,1-4H3.
What are the key properties of 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one?
2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one has a molecular weight of 288.42 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(2-trimethylsilylethynyl)-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 177212662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).