trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate

C9H15NO3Si — CID 131052928

IUPACtrimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@H](C(=O)O[Si](C)(C)C)NC1=O
InChIInChI=1S/C9H15NO3Si/c1-6-5-7(10-8(6)11)9(12)13-14(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1
InChIKeyAMKNNZQMGRLDIP-SSDOTTSWSA-N
MW213.31 g/mol
LogP0.81
Rot. Bonds2

About trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate

trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate (PubChem CID 131052928) has the molecular formula C9H15NO3Si and a molecular weight of 213.31 g/mol. Its IUPAC name is trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
PubChem CID131052928
Molecular FormulaC9H15NO3Si
Molecular Weight213.31 g/mol
Exact Mass213.08
IUPAC Nametrimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@H](C(=O)O[Si](C)(C)C)NC1=O
InChIInChI=1S/C9H15NO3Si/c1-6-5-7(10-8(6)11)9(12)13-14(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1
InChIKeyAMKNNZQMGRLDIP-SSDOTTSWSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.81
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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Related Compounds

bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
CID 553088
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 101435000
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14391647
cis-trimethylsilyl (1R,2E,4S)-2-[cyano(trimethylsilyloxy)methylidene]-4-methylcyclohexane-1-carboxylate
CID 124928211
methyl 5-hydroxy-9-methylidene-10-oxo-3,11-diazatricyclo[6.5.1.04,14]tetradeca-1,4,6,8(14)-tetraene-12-carboxylate
CID 56642242
methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 126722990
butyl 4-oxoazetidine-2-carboxylate
CID 70500424
bis(trimethylsilyl) (1S,2R,5R,6S,7R,8R)-tricyclo[4.2.2.02,5]deca-3,9-diene-7,8-dicarboxylate
CID 124783515
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
CID 54242432

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate (CID 131052928) is trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate is C=C1C[C@H](C(=O)O[Si](C)(C)C)NC1=O.
What is the InChIKey of trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The InChIKey is AMKNNZQMGRLDIP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3Si/c1-6-5-7(10-8(6)11)9(12)13-14(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1.
What are the key properties of trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate has a molecular weight of 213.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 131052928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).