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

C7H6N2O — CID 151947586

IUPAC1,3-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESO=C1CC=C2C=NC=C2N1
InChIInChI=1S/C7H6N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h1,3-4H,2H2,(H,9,10)
InChIKeyTVYSDKJUWDRDFG-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.36
Rot. Bonds

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

1,3-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 151947586) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,3-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID151947586
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,3-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESO=C1CC=C2C=NC=C2N1
InChIInChI=1S/C7H6N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h1,3-4H,2H2,(H,9,10)
InChIKeyTVYSDKJUWDRDFG-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-oxo-5-(6-oxo-1H-pyrazin-2-yl)-3H-pyridine-3-carbonitrile
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1,4-Dihydropyrrolo[3,2-c]pyridin-2-one
CID 126618278
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N-[(3Z)-3-[(3E)-3-ethylidene-4-pyridinylidene]prop-1-en-2-yl]acetamide
CID 156304773
5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
CID 171513057
3-methylidene-4H-pyrrolo[3,2-b]pyridin-5-one
CID 76026585
1H-pyrrolo[3,4-b]pyrrol-2-one
CID 139894694

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,3-dihydropyrrolo[3,4-b]pyridin-2-one (CID 151947586) is 1,3-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,3-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,3-dihydropyrrolo[3,4-b]pyridin-2-one is O=C1CC=C2C=NC=C2N1.
What is the InChIKey of 1,3-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is TVYSDKJUWDRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h1,3-4H,2H2,(H,9,10).
What are the key properties of 1,3-dihydropyrrolo[3,4-b]pyridin-2-one?
1,3-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 134.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 151947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).