methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate

C12H23NO2Si — CID 71412601

IUPACmethyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)C=C(C[Si](C)(C)C)N1CCCC1
InChIInChI=1S/C12H23NO2Si/c1-15-12(14)9-11(10-16(2,3)4)13-7-5-6-8-13/h9H,5-8,10H2,1-4H3
InChIKeyMAIJNMJAFZRFBN-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.48
Rot. Bonds4

About methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate

methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate (PubChem CID 71412601) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate
PubChem CID71412601
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Namemethyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)C=C(C[Si](C)(C)C)N1CCCC1
InChIInChI=1S/C12H23NO2Si/c1-15-12(14)9-11(10-16(2,3)4)13-7-5-6-8-13/h9H,5-8,10H2,1-4H3
InChIKeyMAIJNMJAFZRFBN-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
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

methyl (E)-3-morpholin-4-yl-4-trimethylsilylbut-2-enoate
CID 12785588
methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
CID 24976325
methyl 4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
CID 71338982
methyl (E)-4,4,4-trifluoro-3-piperidin-1-ylbut-2-enoate
CID 134848242
CID 123683302
CID 123683302
methyl (E)-3-cyclobutylbut-2-enoate
CID 89095849
[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate
CID 122455766
dimethyl 2-trimethylsilylbut-2-enedioate
CID 74006532
methyl (E)-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]prop-2-enoate
CID 103263221
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259
methyl (E)-3-(aziridin-1-yl)-3-(prop-2-enylamino)prop-2-enoate
CID 13438831
4-O-[(2S)-2-hydroxy-3-oxo-3-piperidin-1-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 122664242

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate?
The IUPAC name of methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate (CID 71412601) is methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate is COC(=O)C=C(C[Si](C)(C)C)N1CCCC1.
What is the InChIKey of methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate?
The InChIKey is MAIJNMJAFZRFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-15-12(14)9-11(10-16(2,3)4)13-7-5-6-8-13/h9H,5-8,10H2,1-4H3.
What are the key properties of methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate?
methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate has a molecular weight of 241.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-1-yl-4-trimethylsilylbut-2-enoate is sourced from PubChem (CID 71412601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).