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

C21H15N3O2 — CID 5327654

IUPAC3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26)
InChIKeySEAKDKTVXBDRHV-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.23
Rot. Bonds2

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

3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327654) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327654
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26)
InChIKeySEAKDKTVXBDRHV-UHFFFAOYSA-N
XLogP3.23
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
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 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327654) is 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is SEAKDKTVXBDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26).
What are the key properties of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 341.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).