1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione

C12H11NO3 — CID 134607085

IUPAC1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione
SMILESCON1C(=O)C=C(c2ccccc2C)C1=O
InChIInChI=1S/C12H11NO3/c1-8-5-3-4-6-9(8)10-7-11(14)13(16-2)12(10)15/h3-7H,1-2H3
InChIKeyQFMWIDMIINOTGI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.31
Rot. Bonds2

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

1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 134607085) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID134607085
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione
SMILESCON1C(=O)C=C(c2ccccc2C)C1=O
InChIInChI=1S/C12H11NO3/c1-8-5-3-4-6-9(8)10-7-11(14)13(16-2)12(10)15/h3-7H,1-2H3
InChIKeyQFMWIDMIINOTGI-UHFFFAOYSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione (CID 134607085) is 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione is CON1C(=O)C=C(c2ccccc2C)C1=O.
What is the InChIKey of 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is QFMWIDMIINOTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-5-3-4-6-9(8)10-7-11(14)13(16-2)12(10)15/h3-7H,1-2H3.
What are the key properties of 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione?
1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 134607085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).