2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione

C18H16N2O2 — CID 660765

IUPAC2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCc2ccccc21
InChIInChI=1S/C18H16N2O2/c21-17-14-6-2-3-7-15(14)18(22)20(17)12-11-19-10-9-13-5-1-4-8-16(13)19/h1-8H,9-12H2
InChIKeyYIIIUEPNRRQDPZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.35
Rot. Bonds3

About 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione

2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 660765) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione
PubChem CID660765
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCc2ccccc21
InChIInChI=1S/C18H16N2O2/c21-17-14-6-2-3-7-15(14)18(22)20(17)12-11-19-10-9-13-5-1-4-8-16(13)19/h1-8H,9-12H2
InChIKeyYIIIUEPNRRQDPZ-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_L(1)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione (CID 660765) is 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is YIIIUEPNRRQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-14-6-2-3-7-15(14)18(22)20(17)12-11-19-10-9-13-5-1-4-8-16(13)19/h1-8H,9-12H2.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 660765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).