[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate

C21H25NO3Si — CID 11122156

IUPAC[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate
SMILESCc1cccc2c1N(C(OC(=O)C[Si](C)(C)C)c1ccccc1)C(=O)C2
InChIInChI=1S/C21H25NO3Si/c1-15-9-8-12-17-13-18(23)22(20(15)17)21(16-10-6-5-7-11-16)25-19(24)14-26(2,3)4/h5-12,21H,13-14H2,1-4H3
InChIKeyYKPIMPKWBLIIKA-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.46
Rot. Bonds5

About [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate

[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate (PubChem CID 11122156) has the molecular formula C21H25NO3Si and a molecular weight of 367.52 g/mol. Its IUPAC name is [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate.

Molecular Properties

Compound Name[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate
PubChem CID11122156
Molecular FormulaC21H25NO3Si
Molecular Weight367.52 g/mol
Exact Mass367.16
IUPAC Name[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate
SMILESCc1cccc2c1N(C(OC(=O)C[Si](C)(C)C)c1ccccc1)C(=O)C2
InChIInChI=1S/C21H25NO3Si/c1-15-9-8-12-17-13-18(23)22(20(15)17)21(16-10-6-5-7-11-16)25-19(24)14-26(2,3)4/h5-12,21H,13-14H2,1-4H3
InChIKeyYKPIMPKWBLIIKA-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate?
The IUPAC name of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate (CID 11122156) is [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate.
What is the SMILES notation for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate?
The canonical SMILES for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate is Cc1cccc2c1N(C(OC(=O)C[Si](C)(C)C)c1ccccc1)C(=O)C2.
What is the InChIKey of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate?
The InChIKey is YKPIMPKWBLIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3Si/c1-15-9-8-12-17-13-18(23)22(20(15)17)21(16-10-6-5-7-11-16)25-19(24)14-26(2,3)4/h5-12,21H,13-14H2,1-4H3.
What are the key properties of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate?
[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate has a molecular weight of 367.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate is sourced from PubChem (CID 11122156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).