prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate

C15H29NO3Si — CID 173345120

IUPACprop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(C)(C)C)C1CO[SiH](C)C
InChIInChI=1S/C15H29NO3Si/c1-7-10-18-14(17)16-9-8-12(15(2,3)4)13(16)11-19-20(5)6/h7,12-13,20H,1,8-11H2,2-6H3
InChIKeyCRXIRRFCTHWCLE-UHFFFAOYSA-N
MW299.49 g/mol
LogP3.05
Rot. Bonds5

About prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate

prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 173345120) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate
PubChem CID173345120
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Nameprop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(C)(C)C)C1CO[SiH](C)C
InChIInChI=1S/C15H29NO3Si/c1-7-10-18-14(17)16-9-8-12(15(2,3)4)13(16)11-19-20(5)6/h7,12-13,20H,1,8-11H2,2-6H3
InChIKeyCRXIRRFCTHWCLE-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate (CID 173345120) is prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(C(C)(C)C)C1CO[SiH](C)C.
What is the InChIKey of prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is CRXIRRFCTHWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-7-10-18-14(17)16-9-8-12(15(2,3)4)13(16)11-19-20(5)6/h7,12-13,20H,1,8-11H2,2-6H3.
What are the key properties of prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate?
prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 299.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-tert-butyl-2-(dimethylsilyloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 173345120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).