2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C6H4N2O3 — CID 174918402

IUPAC2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(O)[nH]c2C1=O
InChIInChI=1S/C6H4N2O3/c9-3-1-2-4(8-3)5(10)6(11)7-2/h1,8-9H,(H,7,10,11)
InChIKeyNPBXZHHBIGMNND-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.14
Rot. Bonds

About 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 174918402) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID174918402
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(O)[nH]c2C1=O
InChIInChI=1S/C6H4N2O3/c9-3-1-2-4(8-3)5(10)6(11)7-2/h1,8-9H,(H,7,10,11)
InChIKeyNPBXZHHBIGMNND-UHFFFAOYSA-N
XLogP-0.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174763729
1,4-dihydropyrrolo[3,2-b]pyridine-2,3,5-trione
CID 146048162
2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175097917
2-(1-benzothiophen-2-yl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174770480
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
calcium;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;carbonate
CID 175535209
6-hydroxy-5-methoxy-1H-indole-2,3-dione
CID 12693770
N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide
CID 119088471
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan
CID 174941775
4-chloro-6-hydroxy-1H-pyridin-2-one
CID 5325841
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 174918402) is 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2cc(O)[nH]c2C1=O.
What is the InChIKey of 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is NPBXZHHBIGMNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-3-1-2-4(8-3)5(10)6(11)7-2/h1,8-9H,(H,7,10,11).
What are the key properties of 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 152.11 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 174918402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).