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

C20H16N2O2 — CID 5327706

IUPAC3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1
InChIInChI=1S/C20H16N2O2/c1-12-6-5-7-13(10-12)17-18(20(24)21-19(17)23)15-11-22(2)16-9-4-3-8-14(15)16/h3-11H,1-2H3,(H,21,23,24)
InChIKeyLHGRZBUIYQSMLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.05
Rot. Bonds2

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

3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione (PubChem CID 5327706) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione
PubChem CID5327706
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1
InChIInChI=1S/C20H16N2O2/c1-12-6-5-7-13(10-12)17-18(20(24)21-19(17)23)15-11-22(2)16-9-4-3-8-14(15)16/h3-11H,1-2H3,(H,21,23,24)
InChIKeyLHGRZBUIYQSMLQ-UHFFFAOYSA-N
XLogP3.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
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-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione (CID 5327706) is 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione is Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is LHGRZBUIYQSMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-12-6-5-7-13(10-12)17-18(20(24)21-19(17)23)15-11-22(2)16-9-4-3-8-14(15)16/h3-11H,1-2H3,(H,21,23,24).
What are the key properties of 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 5327706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).