3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione

C23H16N2O3 — CID 69372212

IUPAC3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3ccoc23)=C1c1c(C2CC2)[nH]c2ccccc12
InChIInChI=1S/C23H16N2O3/c26-22-18(15-6-3-4-13-10-11-28-21(13)15)19(23(27)25-22)17-14-5-1-2-7-16(14)24-20(17)12-8-9-12/h1-7,10-12,24H,8-9H2,(H,25,26,27)
InChIKeyBXDHDUZMDMIUAH-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.36
Rot. Bonds3

About 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione

3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 69372212) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID69372212
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc3ccoc23)=C1c1c(C2CC2)[nH]c2ccccc12
InChIInChI=1S/C23H16N2O3/c26-22-18(15-6-3-4-13-10-11-28-21(13)15)19(23(27)25-22)17-14-5-1-2-7-16(14)24-20(17)12-8-9-12/h1-7,10-12,24H,8-9H2,(H,25,26,27)
InChIKeyBXDHDUZMDMIUAH-UHFFFAOYSA-N
XLogP4.36
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.36
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-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 69372212) is 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cccc3ccoc23)=C1c1c(C2CC2)[nH]c2ccccc12.
What is the InChIKey of 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is BXDHDUZMDMIUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-22-18(15-6-3-4-13-10-11-28-21(13)15)19(23(27)25-22)17-14-5-1-2-7-16(14)24-20(17)12-8-9-12/h1-7,10-12,24H,8-9H2,(H,25,26,27).
What are the key properties of 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 368.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69372212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).