1,6-dihydropyrrolo[3,2-b]pyridin-5-one

C7H6N2O — CID 137253734

IUPAC1,6-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESO=C1CC=c2[nH]ccc2=N1
InChIInChI=1S/C7H6N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1,3-4,8H,2H2
InChIKeyVZUKCCUXLDVOJR-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.65
Rot. Bonds

About 1,6-dihydropyrrolo[3,2-b]pyridin-5-one

1,6-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 137253734) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,6-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name1,6-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID137253734
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,6-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESO=C1CC=c2[nH]ccc2=N1
InChIInChI=1S/C7H6N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1,3-4,8H,2H2
InChIKeyVZUKCCUXLDVOJR-UHFFFAOYSA-N
XLogP-0.65
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 1,6-dihydropyrrolo[3,2-b]pyridin-5-one (CID 137253734) is 1,6-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 1,6-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 1,6-dihydropyrrolo[3,2-b]pyridin-5-one is O=C1CC=c2[nH]ccc2=N1.
What is the InChIKey of 1,6-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is VZUKCCUXLDVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1,3-4,8H,2H2.
What are the key properties of 1,6-dihydropyrrolo[3,2-b]pyridin-5-one?
1,6-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 134.14 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 137253734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).