1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde

C14H25NOSi — CID 13291169

IUPAC1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C=O)c1
InChIInChI=1S/C14H25NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-13H,1-6H3
InChIKeyJEXLJQDNDXOJGZ-UHFFFAOYSA-N
MW251.45 g/mol
LogP4.32
Rot. Bonds5

About 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde

1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde (PubChem CID 13291169) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde
PubChem CID13291169
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C=O)c1
InChIInChI=1S/C14H25NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-13H,1-6H3
InChIKeyJEXLJQDNDXOJGZ-UHFFFAOYSA-N
XLogP4.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde?
The IUPAC name of 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde (CID 13291169) is 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C=O)c1.
What is the InChIKey of 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde?
The InChIKey is JEXLJQDNDXOJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-13H,1-6H3.
What are the key properties of 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde?
1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde has a molecular weight of 251.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylpyrrole-3-carbaldehyde is sourced from PubChem (CID 13291169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).