3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C19H16N2O3 — CID 6539517

IUPAC3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCc3ccccc32)C(=O)NC1=O
InChIInChI=1S/C19H16N2O3/c1-24-15-9-5-3-7-13(15)16-17(19(23)20-18(16)22)21-11-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyBRAUILVAENFWMQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.13
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539517) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539517
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCc3ccccc32)C(=O)NC1=O
InChIInChI=1S/C19H16N2O3/c1-24-15-9-5-3-7-13(15)16-17(19(23)20-18(16)22)21-11-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyBRAUILVAENFWMQ-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.13
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-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 6539517) is 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N2CCc3ccccc32)C(=O)NC1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BRAUILVAENFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-15-9-5-3-7-13(15)16-17(19(23)20-18(16)22)21-11-10-12-6-2-4-8-14(12)21/h2-9H,10-11H2,1H3,(H,20,22,23).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).