butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate

C26H38N2O5Si — CID 67885517

IUPACbutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate
SMILESC=C(CN1C(=O)c2ccccc2C1=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC
InChIInChI=1S/C26H38N2O5Si/c1-8-9-14-32-25(31)27-17-19(33-34(6,7)26(3,4)5)15-22(27)18(2)16-28-23(29)20-12-10-11-13-21(20)24(28)30/h10-13,19,22H,2,8-9,14-17H2,1,3-7H3
InChIKeyXLHBWXRJEFTYHC-UHFFFAOYSA-N
MW486.69 g/mol
LogP5.24
Rot. Bonds8

About butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate

butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate (PubChem CID 67885517) has the molecular formula C26H38N2O5Si and a molecular weight of 486.69 g/mol. Its IUPAC name is butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate
PubChem CID67885517
Molecular FormulaC26H38N2O5Si
Molecular Weight486.69 g/mol
Exact Mass486.25
IUPAC Namebutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate
SMILESC=C(CN1C(=O)c2ccccc2C1=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC
InChIInChI=1S/C26H38N2O5Si/c1-8-9-14-32-25(31)27-17-19(33-34(6,7)26(3,4)5)15-22(27)18(2)16-28-23(29)20-12-10-11-13-21(20)24(28)30/h10-13,19,22H,2,8-9,14-17H2,1,3-7H3
InChIKeyXLHBWXRJEFTYHC-UHFFFAOYSA-N
XLogP5.24
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate (CID 67885517) is butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate is C=C(CN1C(=O)c2ccccc2C1=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC.
What is the InChIKey of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is XLHBWXRJEFTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5Si/c1-8-9-14-32-25(31)27-17-19(33-34(6,7)26(3,4)5)15-22(27)18(2)16-28-23(29)20-12-10-11-13-21(20)24(28)30/h10-13,19,22H,2,8-9,14-17H2,1,3-7H3.
What are the key properties of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate?
butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 486.69 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67885517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).