1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

C14H22N2OSi — CID 58730934

IUPAC1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16/h8-10H,6-7H2,1-5H3
InChIKeyQAUVHWMJTBWIER-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.26
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 58730934) has the molecular formula C14H22N2OSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID58730934
Molecular FormulaC14H22N2OSi
Molecular Weight262.43 g/mol
Exact Mass262.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16/h8-10H,6-7H2,1-5H3
InChIKeyQAUVHWMJTBWIER-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 58730934) is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is QAUVHWMJTBWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 262.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 58730934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).