1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde

C11H19NO2Si — CID 91103274

IUPAC1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc(C=O)c1
InChIInChI=1S/C11H19NO2Si/c1-15(2,3)7-6-14-10-12-5-4-11(8-12)9-13/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyFDZYXYXVIXRYLC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde

1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde (PubChem CID 91103274) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
PubChem CID91103274
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc(C=O)c1
InChIInChI=1S/C11H19NO2Si/c1-15(2,3)7-6-14-10-12-5-4-11(8-12)9-13/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyFDZYXYXVIXRYLC-UHFFFAOYSA-N
XLogP2.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
CID 140735529
trimethyl-[2-[[3-(1H-pyrazol-4-yl)pyrrol-1-yl]methoxy]ethyl]silane
CID 141189277
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 175454411
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
CID 76695337
2-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 11052605
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde (CID 91103274) is 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde is C[Si](C)(C)CCOCn1ccc(C=O)c1.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde?
The InChIKey is FDZYXYXVIXRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-15(2,3)7-6-14-10-12-5-4-11(8-12)9-13/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde?
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde has a molecular weight of 225.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 91103274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).