1-(3-phenylpropyl)indole-2,3-dione

C17H15NO2 — CID 2282752

IUPAC1-(3-phenylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyYDZPVQACTLRICO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-phenylpropyl)indole-2,3-dione

1-(3-phenylpropyl)indole-2,3-dione (PubChem CID 2282752) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-phenylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3-phenylpropyl)indole-2,3-dione
PubChem CID2282752
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(3-phenylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyYDZPVQACTLRICO-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)indole-2,3-dione?
The IUPAC name of 1-(3-phenylpropyl)indole-2,3-dione (CID 2282752) is 1-(3-phenylpropyl)indole-2,3-dione.
What is the SMILES notation for 1-(3-phenylpropyl)indole-2,3-dione?
The canonical SMILES for 1-(3-phenylpropyl)indole-2,3-dione is O=C1C(=O)N(CCCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(3-phenylpropyl)indole-2,3-dione?
The InChIKey is YDZPVQACTLRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2.
What are the key properties of 1-(3-phenylpropyl)indole-2,3-dione?
1-(3-phenylpropyl)indole-2,3-dione has a molecular weight of 265.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)indole-2,3-dione is sourced from PubChem (CID 2282752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).