1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

C13H13NO5 — CID 2731140

IUPAC1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(N2C(=O)C=CC2=O)cc(OC)c1OC
InChIInChI=1S/C13H13NO5/c1-17-9-6-8(7-10(18-2)13(9)19-3)14-11(15)4-5-12(14)16/h4-7H,1-3H3
InChIKeyAWGJOMPQVIXUST-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.14
Rot. Bonds4

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

1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 2731140) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID2731140
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(N2C(=O)C=CC2=O)cc(OC)c1OC
InChIInChI=1S/C13H13NO5/c1-17-9-6-8(7-10(18-2)13(9)19-3)14-11(15)4-5-12(14)16/h4-7H,1-3H3
InChIKeyAWGJOMPQVIXUST-UHFFFAOYSA-N
XLogP1.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 2731140) is 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1cc(N2C(=O)C=CC2=O)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is AWGJOMPQVIXUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-17-9-6-8(7-10(18-2)13(9)19-3)14-11(15)4-5-12(14)16/h4-7H,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 263.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2731140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).