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

C16H11N3O2 — CID 23650558

IUPAC3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1ccc[nH]1
InChIInChI=1S/C16H11N3O2/c20-15-13(10-8-18-11-5-2-1-4-9(10)11)14(16(21)19-15)12-6-3-7-17-12/h1-8,17-18H,(H,19,20,21)
InChIKeyRWZGYAHVGDKOAU-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.06
Rot. Bonds2

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

3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (PubChem CID 23650558) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
PubChem CID23650558
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1ccc[nH]1
InChIInChI=1S/C16H11N3O2/c20-15-13(10-8-18-11-5-2-1-4-9(10)11)14(16(21)19-15)12-6-3-7-17-12/h1-8,17-18H,(H,19,20,21)
InChIKeyRWZGYAHVGDKOAU-UHFFFAOYSA-N
XLogP2.06
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-(1,4-benzodioxin-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 134998083
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 165437352
3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10639498
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;5,6-bis(4-methoxyanilino)isoindole-1,3-dione
CID 161218746
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22728646
3-(9,9-dioxo-9λ6-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22556849

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (CID 23650558) is 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1ccc[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The InChIKey is RWZGYAHVGDKOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-13(10-8-18-11-5-2-1-4-9(10)11)14(16(21)19-15)12-6-3-7-17-12/h1-8,17-18H,(H,19,20,21).
What are the key properties of 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione has a molecular weight of 277.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23650558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).