1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione

C11H8N2O5 — CID 3299565

IUPAC1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O5/c1-18-9-3-2-7(6-8(9)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyMOUAUTJQGALIRR-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione

1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 3299565) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
PubChem CID3299565
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O5/c1-18-9-3-2-7(6-8(9)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKeyMOUAUTJQGALIRR-UHFFFAOYSA-N
XLogP1.03
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
2-(4-methoxy-3-nitrophenyl)-5-nitroisoindole-1,3-dione
CID 4184601
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidine-3-carbonitrile
CID 82042476
4-chloro-1-(4-methoxy-3-nitrophenyl)pyrrolidin-2-one
CID 168687844
1-(4-methoxy-3-nitrophenyl)-5-methyltriazole-4-carbonitrile
CID 82197386
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
1-(4-methoxy-3-nitrophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367417
1-(4-methoxy-3-nitrophenyl)-2-methyl-5-(2,3,4-trimethoxyphenyl)pyrrole
CID 73058001
4-methoxy-3-nitrobenzaldehyde
CID 700608
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
2-(3,4-dimethoxyphenyl)-5-nitroisoindole-1,3-dione
CID 110168012

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione (CID 3299565) is 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is MOUAUTJQGALIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c1-18-9-3-2-7(6-8(9)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3.
What are the key properties of 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione?
1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 248.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 3299565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).