3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione

C25H21N3O2 — CID 137393254

IUPAC3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESC=CCc1ccc2c(C3=C(c4cn(CC)c5ccccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C25H21N3O2/c1-3-7-15-10-11-16-18(13-26-20(16)12-15)22-23(25(30)27-24(22)29)19-14-28(4-2)21-9-6-5-8-17(19)21/h3,5-6,8-14,26H,1,4,7H2,2H3,(H,27,29,30)
InChIKeyOUSIRBOGXPUXHN-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.44
Rot. Bonds5

About 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione

3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 137393254) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID137393254
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESC=CCc1ccc2c(C3=C(c4cn(CC)c5ccccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C25H21N3O2/c1-3-7-15-10-11-16-18(13-26-20(16)12-15)22-23(25(30)27-24(22)29)19-14-28(4-2)21-9-6-5-8-17(19)21/h3,5-6,8-14,26H,1,4,7H2,2H3,(H,27,29,30)
InChIKeyOUSIRBOGXPUXHN-UHFFFAOYSA-N
XLogP4.44
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 137393254) is 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione is C=CCc1ccc2c(C3=C(c4cn(CC)c5ccccc45)C(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is OUSIRBOGXPUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-3-7-15-10-11-16-18(13-26-20(16)12-15)22-23(25(30)27-24(22)29)19-14-28(4-2)21-9-6-5-8-17(19)21/h3,5-6,8-14,26H,1,4,7H2,2H3,(H,27,29,30).
What are the key properties of 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 137393254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).