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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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).