methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate

C15H29NO3Si — CID 50937057

IUPACmethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1CC(O[Si](C)(C)C(C)(C)C)CN1C
InChIInChI=1S/C15H29NO3Si/c1-15(2,3)20(6,7)19-13-10-12(16(4)11-13)8-9-14(17)18-5/h8-9,12-13H,10-11H2,1-7H3/b9-8+
InChIKeyCRKFTQMPXQTBFW-CMDGGOBGSA-N
MW299.49 g/mol
LogP2.81
Rot. Bonds4

About methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate

methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate (PubChem CID 50937057) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate
PubChem CID50937057
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Namemethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1CC(O[Si](C)(C)C(C)(C)C)CN1C
InChIInChI=1S/C15H29NO3Si/c1-15(2,3)20(6,7)19-13-10-12(16(4)11-13)8-9-14(17)18-5/h8-9,12-13H,10-11H2,1-7H3/b9-8+
InChIKeyCRKFTQMPXQTBFW-CMDGGOBGSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate (CID 50937057) is methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate is COC(=O)/C=C/C1CC(O[Si](C)(C)C(C)(C)C)CN1C.
What is the InChIKey of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate?
The InChIKey is CRKFTQMPXQTBFW-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-15(2,3)20(6,7)19-13-10-12(16(4)11-13)8-9-14(17)18-5/h8-9,12-13H,10-11H2,1-7H3/b9-8+.
What are the key properties of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate?
methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate has a molecular weight of 299.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]prop-2-enoate is sourced from PubChem (CID 50937057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).