4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine

C15H22N2 — CID 66693612

IUPAC4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine
SMILESCCc1cn(CC)c2nccc(C(C)(C)C)c12
InChIInChI=1S/C15H22N2/c1-6-11-10-17(7-2)14-13(11)12(8-9-16-14)15(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyGMLJFKOEZNPAJE-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.92
Rot. Bonds2

About 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine

4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine (PubChem CID 66693612) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine
PubChem CID66693612
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine
SMILESCCc1cn(CC)c2nccc(C(C)(C)C)c12
InChIInChI=1S/C15H22N2/c1-6-11-10-17(7-2)14-13(11)12(8-9-16-14)15(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyGMLJFKOEZNPAJE-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine (CID 66693612) is 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine is CCc1cn(CC)c2nccc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine?
The InChIKey is GMLJFKOEZNPAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-11-10-17(7-2)14-13(11)12(8-9-16-14)15(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine?
4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine has a molecular weight of 230.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-diethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66693612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).