methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate

C20H28N2O5Si — CID 11486531

IUPACmethyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCOC(=O)N1C=CC2(C1)C(=O)N(COCC[Si](C)(C)C)c1ccc(OC)cc12
InChIInChI=1S/C20H28N2O5Si/c1-25-15-6-7-17-16(12-15)20(8-9-21(13-20)19(24)26-2)18(23)22(17)14-27-10-11-28(3,4)5/h6-9,12H,10-11,13-14H2,1-5H3
InChIKeyWLPCAAZYWXGKJQ-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.19
Rot. Bonds6

About methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate

methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate (PubChem CID 11486531) has the molecular formula C20H28N2O5Si and a molecular weight of 404.54 g/mol. Its IUPAC name is methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate.

Molecular Properties

Compound Namemethyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
PubChem CID11486531
Molecular FormulaC20H28N2O5Si
Molecular Weight404.54 g/mol
Exact Mass404.18
IUPAC Namemethyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
SMILESCOC(=O)N1C=CC2(C1)C(=O)N(COCC[Si](C)(C)C)c1ccc(OC)cc12
InChIInChI=1S/C20H28N2O5Si/c1-25-15-6-7-17-16(12-15)20(8-9-21(13-20)19(24)26-2)18(23)22(17)14-27-10-11-28(3,4)5/h6-9,12H,10-11,13-14H2,1-5H3
InChIKeyWLPCAAZYWXGKJQ-UHFFFAOYSA-N
XLogP3.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.19
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The IUPAC name of methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate (CID 11486531) is methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate.
What is the SMILES notation for methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The canonical SMILES for methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate is COC(=O)N1C=CC2(C1)C(=O)N(COCC[Si](C)(C)C)c1ccc(OC)cc12.
What is the InChIKey of methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
The InChIKey is WLPCAAZYWXGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5Si/c1-25-15-6-7-17-16(12-15)20(8-9-21(13-20)19(24)26-2)18(23)22(17)14-27-10-11-28(3,4)5/h6-9,12H,10-11,13-14H2,1-5H3.
What are the key properties of methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate?
methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate has a molecular weight of 404.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate is sourced from PubChem (CID 11486531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).