4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde

C13H19NOSi — CID 141106411

IUPAC4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(C=O)[nH]c1C#CC[Si](C)(C)C
InChIInChI=1S/C13H19NOSi/c1-5-11-9-12(10-15)14-13(11)7-6-8-16(2,3)4/h9-10,14H,5,8H2,1-4H3
InChIKeyBIXIEJKWCUJUPM-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.08
Rot. Bonds3

About 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde

4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 141106411) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde
PubChem CID141106411
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(C=O)[nH]c1C#CC[Si](C)(C)C
InChIInChI=1S/C13H19NOSi/c1-5-11-9-12(10-15)14-13(11)7-6-8-16(2,3)4/h9-10,14H,5,8H2,1-4H3
InChIKeyBIXIEJKWCUJUPM-UHFFFAOYSA-N
XLogP3.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde (CID 141106411) is 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde is CCc1cc(C=O)[nH]c1C#CC[Si](C)(C)C.
What is the InChIKey of 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is BIXIEJKWCUJUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-5-11-9-12(10-15)14-13(11)7-6-8-16(2,3)4/h9-10,14H,5,8H2,1-4H3.
What are the key properties of 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde?
4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 233.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-trimethylsilylprop-1-ynyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 141106411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).