diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

C22H34N2O5Si — CID 102218476

IUPACdiethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2c(C)nc(N3CCOCC3)c([Si](C)(C)C)c2C1
InChIInChI=1S/C22H34N2O5Si/c1-7-28-20(25)22(21(26)29-8-2)13-16-15(3)23-19(24-9-11-27-12-10-24)18(17(16)14-22)30(4,5)6/h7-14H2,1-6H3
InChIKeyVDUNPRHJZBAWIA-UHFFFAOYSA-N
MW434.61 g/mol
LogP1.98
Rot. Bonds6

About diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (PubChem CID 102218476) has the molecular formula C22H34N2O5Si and a molecular weight of 434.61 g/mol. Its IUPAC name is diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
PubChem CID102218476
Molecular FormulaC22H34N2O5Si
Molecular Weight434.61 g/mol
Exact Mass434.22
IUPAC Namediethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2c(C)nc(N3CCOCC3)c([Si](C)(C)C)c2C1
InChIInChI=1S/C22H34N2O5Si/c1-7-28-20(25)22(21(26)29-8-2)13-16-15(3)23-19(24-9-11-27-12-10-24)18(17(16)14-22)30(4,5)6/h7-14H2,1-6H3
InChIKeyVDUNPRHJZBAWIA-UHFFFAOYSA-N
XLogP1.98
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The IUPAC name of diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (CID 102218476) is diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.
What is the SMILES notation for diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The canonical SMILES for diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)Cc2c(C)nc(N3CCOCC3)c([Si](C)(C)C)c2C1.
What is the InChIKey of diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The InChIKey is VDUNPRHJZBAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5Si/c1-7-28-20(25)22(21(26)29-8-2)13-16-15(3)23-19(24-9-11-27-12-10-24)18(17(16)14-22)30(4,5)6/h7-14H2,1-6H3.
What are the key properties of diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate has a molecular weight of 434.61 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methyl-3-morpholin-4-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is sourced from PubChem (CID 102218476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).