prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C17H31NO4Si — CID 15117336

IUPACprop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)C(C(C)=O)C1
InChIInChI=1S/C17H31NO4Si/c1-8-9-21-16(20)18-10-14(15(11-18)13(2)19)12-22-23(6,7)17(3,4)5/h8,14-15H,1,9-12H2,2-7H3
InChIKeyPDZOARYMPPGNIS-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.47
Rot. Bonds6

About prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 15117336) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID15117336
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Nameprop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)C(C(C)=O)C1
InChIInChI=1S/C17H31NO4Si/c1-8-9-21-16(20)18-10-14(15(11-18)13(2)19)12-22-23(6,7)17(3,4)5/h8,14-15H,1,9-12H2,2-7H3
InChIKeyPDZOARYMPPGNIS-UHFFFAOYSA-N
XLogP3.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 15117336) is prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)C(C(C)=O)C1.
What is the InChIKey of prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is PDZOARYMPPGNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-8-9-21-16(20)18-10-14(15(11-18)13(2)19)12-22-23(6,7)17(3,4)5/h8,14-15H,1,9-12H2,2-7H3.
What are the key properties of prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 341.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15117336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).