ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate

C24H36N2O4Si — CID 101259626

IUPACethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C24H36N2O4Si/c1-8-29-22(27)15-18-14-19(30-31(6,7)24(2,3)4)16-26(18)23(28)21-13-17-11-9-10-12-20(17)25(21)5/h9-13,18-19H,8,14-16H2,1-7H3
InChIKeyBDEFPJLNSSRXEA-UHFFFAOYSA-N
MW444.65 g/mol
LogP4.74
Rot. Bonds6

About ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate

ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate (PubChem CID 101259626) has the molecular formula C24H36N2O4Si and a molecular weight of 444.65 g/mol. Its IUPAC name is ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate
PubChem CID101259626
Molecular FormulaC24H36N2O4Si
Molecular Weight444.65 g/mol
Exact Mass444.24
IUPAC Nameethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C24H36N2O4Si/c1-8-29-22(27)15-18-14-19(30-31(6,7)24(2,3)4)16-26(18)23(28)21-13-17-11-9-10-12-20(17)25(21)5/h9-13,18-19H,8,14-16H2,1-7H3
InChIKeyBDEFPJLNSSRXEA-UHFFFAOYSA-N
XLogP4.74
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate (CID 101259626) is ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate is CCOC(=O)CC1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)c1cc2ccccc2n1C.
What is the InChIKey of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate?
The InChIKey is BDEFPJLNSSRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4Si/c1-8-29-22(27)15-18-14-19(30-31(6,7)24(2,3)4)16-26(18)23(28)21-13-17-11-9-10-12-20(17)25(21)5/h9-13,18-19H,8,14-16H2,1-7H3.
What are the key properties of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate?
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate has a molecular weight of 444.65 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate is sourced from PubChem (CID 101259626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).