3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

C20H16N2O4 — CID 11494006

IUPAC3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc1OC
InChIInChI=1S/C20H16N2O4/c1-25-15-8-7-11(9-16(15)26-2)17-18(20(24)22-19(17)23)13-10-21-14-6-4-3-5-12(13)14/h3-10,21H,1-2H3,(H,22,23,24)
InChIKeyXYZMTWPLQIFNDJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.75
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 11494006) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID11494006
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc1OC
InChIInChI=1S/C20H16N2O4/c1-25-15-8-7-11(9-16(15)26-2)17-18(20(24)22-19(17)23)13-10-21-14-6-4-3-5-12(13)14/h3-10,21H,1-2H3,(H,22,23,24)
InChIKeyXYZMTWPLQIFNDJ-UHFFFAOYSA-N
XLogP2.75
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 11494006) is 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is XYZMTWPLQIFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-15-8-7-11(9-16(15)26-2)17-18(20(24)22-19(17)23)13-10-21-14-6-4-3-5-12(13)14/h3-10,21H,1-2H3,(H,22,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 348.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11494006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).