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

C7H6N2O — CID 20505168

IUPAC2,3-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2=NCCC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h2,4H,1,3H2
InChIKeyWHTUIDXRZSGWAG-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.37
Rot. Bonds

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

2,3-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 20505168) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2,3-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID20505168
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2,3-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2=NCCC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h2,4H,1,3H2
InChIKeyWHTUIDXRZSGWAG-UHFFFAOYSA-N
XLogP0.37
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2,3-dihydropyrrolo[3,4-b]pyridin-5-one (CID 20505168) is 2,3-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2,3-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2,3-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1N=CC2=NCCC=C12.
What is the InChIKey of 2,3-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WHTUIDXRZSGWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h2,4H,1,3H2.
What are the key properties of 2,3-dihydropyrrolo[3,4-b]pyridin-5-one?
2,3-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 134.14 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20505168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).