tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate

C17H31NO4Si — CID 164561979

IUPACtert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC/C(=C\CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H31NO4Si/c1-16(2,3)22-15(20)18-11-9-13(14(18)19)10-12-21-23(7,8)17(4,5)6/h10H,9,11-12H2,1-8H3/b13-10+
InChIKeyCESFBEXVFFWWFS-JLHYYAGUSA-N
MW341.52 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate (PubChem CID 164561979) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate
PubChem CID164561979
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Nametert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC/C(=C\CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H31NO4Si/c1-16(2,3)22-15(20)18-11-9-13(14(18)19)10-12-21-23(7,8)17(4,5)6/h10H,9,11-12H2,1-8H3/b13-10+
InChIKeyCESFBEXVFFWWFS-JLHYYAGUSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3E)-3-[(5Z)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperidin-3-ylidene]pentylidene]-2-oxopiperidine-1-carboxylate
CID 10389621
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl (3E)-3-[[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylidene]-2-oxopyrrolidine-1-carboxylate
CID 177188718
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole-1-carboxylate
CID 131748095
tert-butyl 2-bromo-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 90284882
tert-butyl 2-bromo-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;ethane
CID 144671243
tert-butyl 4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-5-carboxylate
CID 12967141
tert-butyl 5-formyl-4-propan-2-yl-2,3-dihydropyrrole-1-carboxylate
CID 123425899
tert-butyl (3E)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-2-oxopiperidine-1-carboxylate
CID 140686786
tert-butyl 4-(hydroxymethyl)-5-methyl-2,3-dihydropyrrole-1-carboxylate
CID 132527370

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate (CID 164561979) is tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC/C(=C\CO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate?
The InChIKey is CESFBEXVFFWWFS-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-16(2,3)22-15(20)18-11-9-13(14(18)19)10-12-21-23(7,8)17(4,5)6/h10H,9,11-12H2,1-8H3/b13-10+.
What are the key properties of tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 341.52 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 164561979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).