3-(2,3-dinitrophenyl)pyrrole-2,5-dione

C10H5N3O6 — CID 155271491

IUPAC3-(2,3-dinitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc([N+](=O)[O-])c2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H5N3O6/c14-8-4-6(10(15)11-8)5-2-1-3-7(12(16)17)9(5)13(18)19/h1-4H,(H,11,14,15)
InChIKeyWHSRYCSCKRNAGU-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.54
Rot. Bonds3

About 3-(2,3-dinitrophenyl)pyrrole-2,5-dione

3-(2,3-dinitrophenyl)pyrrole-2,5-dione (PubChem CID 155271491) has the molecular formula C10H5N3O6 and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-(2,3-dinitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dinitrophenyl)pyrrole-2,5-dione
PubChem CID155271491
Molecular FormulaC10H5N3O6
Molecular Weight263.17 g/mol
Exact Mass263.02
IUPAC Name3-(2,3-dinitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc([N+](=O)[O-])c2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H5N3O6/c14-8-4-6(10(15)11-8)5-2-1-3-7(12(16)17)9(5)13(18)19/h1-4H,(H,11,14,15)
InChIKeyWHSRYCSCKRNAGU-UHFFFAOYSA-N
XLogP0.54
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-3-nitrophenyl)pyrrole-2,5-dione
CID 106694913
4-nitroisoindole-1,3-dione
CID 11779
hydrazine;1,2,3-trinitrobenzene
CID 174855794
3-(2,3-dichlorophenyl)pyrrole-2,5-dione
CID 22352874
3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
CID 106695119
3-quinolin-8-ylpyrrole-2,5-dione
CID 106694986
N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
2,3-dinitrophenol;1H-pyrrole
CID 141490929

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dinitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dinitrophenyl)pyrrole-2,5-dione (CID 155271491) is 3-(2,3-dinitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dinitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dinitrophenyl)pyrrole-2,5-dione is O=C1C=C(c2cccc([N+](=O)[O-])c2[N+](=O)[O-])C(=O)N1.
What is the InChIKey of 3-(2,3-dinitrophenyl)pyrrole-2,5-dione?
The InChIKey is WHSRYCSCKRNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O6/c14-8-4-6(10(15)11-8)5-2-1-3-7(12(16)17)9(5)13(18)19/h1-4H,(H,11,14,15).
What are the key properties of 3-(2,3-dinitrophenyl)pyrrole-2,5-dione?
3-(2,3-dinitrophenyl)pyrrole-2,5-dione has a molecular weight of 263.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dinitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 155271491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).