1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione

C11H8N2O4 — CID 708370

IUPAC1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
SMILESCc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O4/c1-7-2-3-8(13(16)17)6-9(7)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyUNJCZKYOAQGDIQ-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.33
Rot. Bonds2

About 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione

1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione (PubChem CID 708370) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
PubChem CID708370
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
SMILESCc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O4/c1-7-2-3-8(13(16)17)6-9(7)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyUNJCZKYOAQGDIQ-UHFFFAOYSA-N
XLogP1.33
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione (CID 708370) is 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione is Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is UNJCZKYOAQGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-7-2-3-8(13(16)17)6-9(7)12-10(14)4-5-11(12)15/h2-6H,1H3.
What are the key properties of 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione?
1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 232.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).