prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate

C15H28INO3Si — CID 19971565

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CI
InChIInChI=1S/C15H28INO3Si/c1-7-8-19-14(18)17-11-13(9-12(17)10-16)20-21(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyNMBDMXFYIUMMRZ-UHFFFAOYSA-N
MW425.38 g/mol
LogP4.21
Rot. Bonds5

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate (PubChem CID 19971565) has the molecular formula C15H28INO3Si and a molecular weight of 425.38 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate
PubChem CID19971565
Molecular FormulaC15H28INO3Si
Molecular Weight425.38 g/mol
Exact Mass425.09
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CI
InChIInChI=1S/C15H28INO3Si/c1-7-8-19-14(18)17-11-13(9-12(17)10-16)20-21(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyNMBDMXFYIUMMRZ-UHFFFAOYSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate (CID 19971565) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CI.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate?
The InChIKey is NMBDMXFYIUMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28INO3Si/c1-7-8-19-14(18)17-11-13(9-12(17)10-16)20-21(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3.
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate has a molecular weight of 425.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19971565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).