1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine

C11H14N2O — CID 67836444

IUPAC1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)On1ccc2ncccc21
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-13-8-6-9-10(13)5-4-7-12-9/h4-8H,1-3H3
InChIKeySEZLOIITSRKWEH-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.26
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine

1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine (PubChem CID 67836444) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
PubChem CID67836444
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)On1ccc2ncccc21
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-13-8-6-9-10(13)5-4-7-12-9/h4-8H,1-3H3
InChIKeySEZLOIITSRKWEH-UHFFFAOYSA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine (CID 67836444) is 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine is CC(C)(C)On1ccc2ncccc21.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine?
The InChIKey is SEZLOIITSRKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)14-13-8-6-9-10(13)5-4-7-12-9/h4-8H,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine?
1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine has a molecular weight of 190.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67836444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).