3a,4-dihydropyrrolo[3,4-c]pyridin-1-one

C7H6N2O — CID 57322095

IUPAC3a,4-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1N=CC2CN=CC=C12
InChIInChI=1S/C7H6N2O/c10-7-6-1-2-8-3-5(6)4-9-7/h1-2,4-5H,3H2
InChIKeyGWASTSJBGDGALQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.22
Rot. Bonds

About 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one

3a,4-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 57322095) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3a,4-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID57322095
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3a,4-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1N=CC2CN=CC=C12
InChIInChI=1S/C7H6N2O/c10-7-6-1-2-8-3-5(6)4-9-7/h1-2,4-5H,3H2
InChIKeyGWASTSJBGDGALQ-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 20505168
3a,4-Dihydropyrrolo[3,4-c]pyridin-3-one
CID 54245866
3H-pyridin-1-ium-4-carboxamide
CID 57095584
3H-pyrrolo[3,4-b]pyridine-2,5-dione
CID 70461504
2,3-Dihydropyridine-4-carboxamide
CID 91606672
3-Ethylpyrrol-2-one
CID 140974856
3-Methyl-2,3-dihydropyridine-4-carboxamide
CID 148328252

Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one (CID 57322095) is 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1N=CC2CN=CC=C12.
What is the InChIKey of 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is GWASTSJBGDGALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-6-1-2-8-3-5(6)4-9-7/h1-2,4-5H,3H2.
What are the key properties of 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one?
3a,4-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 134.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 57322095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).