1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione

C11H8N2O4 — CID 2834581

IUPAC1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8N2O4/c1-7-2-3-8(9(6-7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyBHSSXQLSMUDQIV-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.33
Rot. Bonds2

About 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione

1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione (PubChem CID 2834581) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
PubChem CID2834581
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8N2O4/c1-7-2-3-8(9(6-7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyBHSSXQLSMUDQIV-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'}

Analyze 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
4-methyl-2-nitrophenolate
CID 6989903
sodium 4-methyl-2-nitrophenolate
CID 12989561
(3aS,4S,7S,7aS)-4,7-dimethyl-2-(4-methyl-2-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98067980
2-(4-methyl-2-nitrophenyl)-1,4-bis(4-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 135132741
(1R,2S,6S,7R)-4-(4-methyl-2-nitrophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98198569
1,4-dimethyl-2-nitrobenzene
CID 20849377
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
CID 50999986
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
CID 3299565

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione (CID 2834581) is 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is BHSSXQLSMUDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-7-2-3-8(9(6-7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3.
What are the key properties of 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione?
1-(4-methyl-2-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-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2834581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).