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

C7H6N2O — CID 11528350

IUPAC1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1ccc2cc[nH]c2[nH]1
InChIInChI=1S/C7H6N2O/c10-6-2-1-5-3-4-8-7(5)9-6/h1-4H,(H2,8,9,10)
InChIKeyVTPUTFNXIXSCBT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.86
Rot. Bonds

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

1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 11528350) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID11528350
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1ccc2cc[nH]c2[nH]1
InChIInChI=1S/C7H6N2O/c10-6-2-1-5-3-4-8-7(5)9-6/h1-4H,(H2,8,9,10)
InChIKeyVTPUTFNXIXSCBT-UHFFFAOYSA-N
XLogP0.86
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 11528350) is 1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 1,7-dihydropyrrolo[2,3-b]pyridin-6-one is O=c1ccc2cc[nH]c2[nH]1.
What is the InChIKey of 1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is VTPUTFNXIXSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-6-2-1-5-3-4-8-7(5)9-6/h1-4H,(H2,8,9,10).
What are the key properties of 1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 134.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 11528350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).