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

C7H6N2O — CID 58157136

IUPAC2,5-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESO=c1[nH]ccc2c[nH]cc12
InChIInChI=1S/C7H6N2O/c10-7-6-4-8-3-5(6)1-2-9-7/h1-4,8H,(H,9,10)
InChIKeyGWSMIRWYAYKBTB-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.86
Rot. Bonds

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

2,5-dihydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 58157136) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,5-dihydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name2,5-dihydropyrrolo[3,4-c]pyridin-4-one
PubChem CID58157136
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2,5-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESO=c1[nH]ccc2c[nH]cc12
InChIInChI=1S/C7H6N2O/c10-7-6-4-8-3-5(6)1-2-9-7/h1-4,8H,(H,9,10)
InChIKeyGWSMIRWYAYKBTB-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 2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 2,5-dihydropyrrolo[3,4-c]pyridin-4-one (CID 58157136) is 2,5-dihydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 2,5-dihydropyrrolo[3,4-c]pyridin-4-one is O=c1[nH]ccc2c[nH]cc12.
What is the InChIKey of 2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is GWSMIRWYAYKBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-6-4-8-3-5(6)1-2-9-7/h1-4,8H,(H,9,10).
What are the key properties of 2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
2,5-dihydropyrrolo[3,4-c]pyridin-4-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 2,5-dihydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 58157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).