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

C6H3ClN2O2 — CID 174763729

IUPAC2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(Cl)[nH]c2C1=O
InChIInChI=1S/C6H3ClN2O2/c7-3-1-2-4(9-3)5(10)6(11)8-2/h1,9H,(H,8,10,11)
InChIKeyGJBFOPUEEVJOEG-UHFFFAOYSA-N
MW170.56 g/mol
LogP0.80
Rot. Bonds

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

2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 174763729) has the molecular formula C6H3ClN2O2 and a molecular weight of 170.56 g/mol. Its IUPAC name is 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID174763729
Molecular FormulaC6H3ClN2O2
Molecular Weight170.56 g/mol
Exact Mass169.99
IUPAC Name2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(Cl)[nH]c2C1=O
InChIInChI=1S/C6H3ClN2O2/c7-3-1-2-4(9-3)5(10)6(11)8-2/h1,9H,(H,8,10,11)
InChIKeyGJBFOPUEEVJOEG-UHFFFAOYSA-N
XLogP0.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 174763729) is 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2cc(Cl)[nH]c2C1=O.
What is the InChIKey of 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is GJBFOPUEEVJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2/c7-3-1-2-4(9-3)5(10)6(11)8-2/h1,9H,(H,8,10,11).
What are the key properties of 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 170.56 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 174763729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).