2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C11H14N2O — CID 90244914

IUPAC2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCC(C)(C)c1cc2ccc(=O)[nH]c2[nH]1
InChIInChI=1S/C11H14N2O/c1-11(2,3)8-6-7-4-5-9(14)13-10(7)12-8/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyJHJNGVGWFROLSL-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.15
Rot. Bonds

About 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 90244914) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID90244914
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCC(C)(C)c1cc2ccc(=O)[nH]c2[nH]1
InChIInChI=1S/C11H14N2O/c1-11(2,3)8-6-7-4-5-9(14)13-10(7)12-8/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyJHJNGVGWFROLSL-UHFFFAOYSA-N
XLogP2.15
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 90244914) is 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is CC(C)(C)c1cc2ccc(=O)[nH]c2[nH]1.
What is the InChIKey of 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is JHJNGVGWFROLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)8-6-7-4-5-9(14)13-10(7)12-8/h4-6H,1-3H3,(H2,12,13,14).
What are the key properties of 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 190.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 90244914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).