4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one

C7H6N2O — CID 67504879

IUPAC4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2N=CC=CC12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-6H
InChIKeyIYXXYXGAAJZRKI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.22
Rot. Bonds

About 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one

4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 67504879) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID67504879
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1N=CC2N=CC=CC12
InChIInChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-6H
InChIKeyIYXXYXGAAJZRKI-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

CID 139266891
CID 139266891
CID 54245866
CID 54245866
CID 67505808
CID 67505808
CID 55285304
CID 55285304

Frequently Asked Questions

What is the IUPAC name of 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one (CID 67504879) is 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1N=CC2N=CC=CC12.
What is the InChIKey of 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IYXXYXGAAJZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-6H.
What are the key properties of 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one?
4a,7a-dihydropyrrolo[3,4-b]pyridin-5-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 4a,7a-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 67504879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).