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

C21H15N3O2 — CID 5327660

IUPAC3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N3O2/c1-23-12-15(14-7-3-5-9-17(14)23)18-19(21(26)22-20(18)25)24-11-10-13-6-2-4-8-16(13)24/h2-12H,1H3,(H,22,25,26)
InChIKeyWERUZASLJJAWCD-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.16
Rot. Bonds2

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

3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327660) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327660
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N3O2/c1-23-12-15(14-7-3-5-9-17(14)23)18-19(21(26)22-20(18)25)24-11-10-13-6-2-4-8-16(13)24/h2-12H,1H3,(H,22,25,26)
InChIKeyWERUZASLJJAWCD-UHFFFAOYSA-N
XLogP3.16
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327660) is 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is WERUZASLJJAWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-23-12-15(14-7-3-5-9-17(14)23)18-19(21(26)22-20(18)25)24-11-10-13-6-2-4-8-16(13)24/h2-12H,1H3,(H,22,25,26).
What are the key properties of 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 341.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).