3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one

C19H23NO2Si — CID 134899912

IUPAC3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one
SMILESC[Si](C)(C)C1=C(CCC(=O)n2ccc3ccccc32)C=C1CO
InChIInChI=1S/C19H23NO2Si/c1-23(2,3)19-15(12-16(19)13-21)8-9-18(22)20-11-10-14-6-4-5-7-17(14)20/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyXXWCGZLGFKAJMD-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.17
Rot. Bonds5

About 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one

3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one (PubChem CID 134899912) has the molecular formula C19H23NO2Si and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one
PubChem CID134899912
Molecular FormulaC19H23NO2Si
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one
SMILESC[Si](C)(C)C1=C(CCC(=O)n2ccc3ccccc32)C=C1CO
InChIInChI=1S/C19H23NO2Si/c1-23(2,3)19-15(12-16(19)13-21)8-9-18(22)20-11-10-14-6-4-5-7-17(14)20/h4-7,10-12,21H,8-9,13H2,1-3H3
InChIKeyXXWCGZLGFKAJMD-UHFFFAOYSA-N
XLogP4.17
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one?
The IUPAC name of 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one (CID 134899912) is 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one is C[Si](C)(C)C1=C(CCC(=O)n2ccc3ccccc32)C=C1CO.
What is the InChIKey of 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one?
The InChIKey is XXWCGZLGFKAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2Si/c1-23(2,3)19-15(12-16(19)13-21)8-9-18(22)20-11-10-14-6-4-5-7-17(14)20/h4-7,10-12,21H,8-9,13H2,1-3H3.
What are the key properties of 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one?
3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one has a molecular weight of 325.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one is sourced from PubChem (CID 134899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).