1-(4-ethylphenyl)pyrrole-2,5-dione

C12H11NO2 — CID 522624

IUPAC1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKeyFHVHFKZQDVQILM-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.68
Rot. Bonds2

About 1-(4-ethylphenyl)pyrrole-2,5-dione

1-(4-ethylphenyl)pyrrole-2,5-dione (PubChem CID 522624) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(4-ethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)pyrrole-2,5-dione
PubChem CID522624
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKeyFHVHFKZQDVQILM-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-ethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)pyrrole-2,5-dione (CID 522624) is 1-(4-ethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)pyrrole-2,5-dione is CCc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)pyrrole-2,5-dione?
The InChIKey is FHVHFKZQDVQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)pyrrole-2,5-dione?
1-(4-ethylphenyl)pyrrole-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 522624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).