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

C24H21N3O2 — CID 5327657

IUPAC3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-3-12-27-14-18(16-9-5-7-11-20(16)27)22-21(23(28)25-24(22)29)17-13-26(2)19-10-6-4-8-15(17)19/h4-11,13-14H,3,12H2,1-2H3,(H,25,28,29)
InChIKeyNMPSBQCWPUSRMH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.11
Rot. Bonds4

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

3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327657) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327657
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-3-12-27-14-18(16-9-5-7-11-20(16)27)22-21(23(28)25-24(22)29)17-13-26(2)19-10-6-4-8-15(17)19/h4-11,13-14H,3,12H2,1-2H3,(H,25,28,29)
InChIKeyNMPSBQCWPUSRMH-UHFFFAOYSA-N
XLogP4.11
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
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-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione (CID 5327657) is 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione is CCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is NMPSBQCWPUSRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-3-12-27-14-18(16-9-5-7-11-20(16)27)22-21(23(28)25-24(22)29)17-13-26(2)19-10-6-4-8-15(17)19/h4-11,13-14H,3,12H2,1-2H3,(H,25,28,29).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 383.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).