2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C11H9N3O — CID 24771196

IUPAC2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESO=C1NCc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C11H9N3O/c15-11-8-5-9(14-10(8)6-13-11)7-1-3-12-4-2-7/h1-5,14H,6H2,(H,13,15)
InChIKeyVNHCUITWGVMRGF-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.32
Rot. Bonds1

About 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 24771196) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID24771196
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESO=C1NCc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C11H9N3O/c15-11-8-5-9(14-10(8)6-13-11)7-1-3-12-4-2-7/h1-5,14H,6H2,(H,13,15)
InChIKeyVNHCUITWGVMRGF-UHFFFAOYSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indole-3-carboxamide
CID 2192542
Pha-767491
CID 11715767
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099
(Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one
CID 5908088
Pyrrolopyridine, 33
CID 10453611
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
3-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11514482
2-(3-Fluoropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 11630374
7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11630500

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 24771196) is 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is O=C1NCc2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is VNHCUITWGVMRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-8-5-9(14-10(8)6-13-11)7-1-3-12-4-2-7/h1-5,14H,6H2,(H,13,15).
What are the key properties of 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 24771196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).