methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate

C15H29NO6Si — CID 3023550

IUPACmethyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
SMILESCCO[Si](CCCN1CC(C(=O)OC)CC1=O)(OCC)OCC
InChIInChI=1S/C15H29NO6Si/c1-5-20-23(21-6-2,22-7-3)10-8-9-16-12-13(11-14(16)17)15(18)19-4/h13H,5-12H2,1-4H3
InChIKeyGJHHDZHJMFJSQX-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.45
Rot. Bonds11

About methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate (PubChem CID 3023550) has the molecular formula C15H29NO6Si and a molecular weight of 347.48 g/mol. Its IUPAC name is methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
PubChem CID3023550
Molecular FormulaC15H29NO6Si
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Namemethyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
SMILESCCO[Si](CCCN1CC(C(=O)OC)CC1=O)(OCC)OCC
InChIInChI=1S/C15H29NO6Si/c1-5-20-23(21-6-2,22-7-3)10-8-9-16-12-13(11-14(16)17)15(18)19-4/h13H,5-12H2,1-4H3
InChIKeyGJHHDZHJMFJSQX-UHFFFAOYSA-N
XLogP1.45
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
methyl 1-[3-(benzylamino)propyl]-5-oxopyrrolidine-3-carboxylate
CID 168694119
methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate
CID 153497790
S-[5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidin-3-yl] ethanethioate
CID 168705187
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
methyl 1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-carboxylate
CID 168693255
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate (CID 3023550) is methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate is CCO[Si](CCCN1CC(C(=O)OC)CC1=O)(OCC)OCC.
What is the InChIKey of methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate?
The InChIKey is GJHHDZHJMFJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6Si/c1-5-20-23(21-6-2,22-7-3)10-8-9-16-12-13(11-14(16)17)15(18)19-4/h13H,5-12H2,1-4H3.
What are the key properties of methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 1.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 3023550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).