3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione

C23H19N3O3 — CID 5327730

IUPAC3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-29-11-10-26-13-17(15-7-3-5-9-19(15)26)21-20(22(27)25-23(21)28)16-12-24-18-8-4-2-6-14(16)18/h2-9,12-13,24H,10-11H2,1H3,(H,25,27,28)
InChIKeyADVCWNNPVNGABP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.34
Rot. Bonds5

About 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 5327730) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID5327730
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-29-11-10-26-13-17(15-7-3-5-9-19(15)26)21-20(22(27)25-23(21)28)16-12-24-18-8-4-2-6-14(16)18/h2-9,12-13,24H,10-11H2,1H3,(H,25,27,28)
InChIKeyADVCWNNPVNGABP-UHFFFAOYSA-N
XLogP3.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.34
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-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (CID 5327730) is 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is COCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is ADVCWNNPVNGABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-11-10-26-13-17(15-7-3-5-9-19(15)26)21-20(22(27)25-23(21)28)16-12-24-18-8-4-2-6-14(16)18/h2-9,12-13,24H,10-11H2,1H3,(H,25,27,28).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 5327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).