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

C14H22N2O2Si — CID 58730941

IUPAC1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(C(=O)O)cnc21
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyPLZBSGJVAQRUKA-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.15
Rot. Bonds2

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

1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 58730941) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID58730941
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(C(=O)O)cnc21
InChIInChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyPLZBSGJVAQRUKA-UHFFFAOYSA-N
XLogP3.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.15
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 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 58730941) is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid is CC(C)(C)[Si](C)(C)N1CCc2cc(C(=O)O)cnc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is PLZBSGJVAQRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 278.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 58730941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).