1,2-dihydropyrrolo[3,4-b]pyridin-5-one

C7H6N2O — CID 67504881

IUPAC1,2-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2=C1C=CCN2
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-2,4,8H,3H2
InChIKeyBLECRZSGHFSLMZ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.01
Rot. Bonds

About 1,2-dihydropyrrolo[3,4-b]pyridin-5-one

1,2-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 67504881) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,2-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1,2-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID67504881
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,2-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2=C1C=CCN2
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-2,4,8H,3H2
InChIKeyBLECRZSGHFSLMZ-UHFFFAOYSA-N
XLogP0.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1,2-dihydropyrrolo[3,4-b]pyridin-5-one (CID 67504881) is 1,2-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1,2-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1,2-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1N=CC2=C1C=CCN2.
What is the InChIKey of 1,2-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BLECRZSGHFSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-2,4,8H,3H2.
What are the key properties of 1,2-dihydropyrrolo[3,4-b]pyridin-5-one?
1,2-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 134.14 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 67504881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).