2-(3-oxoindol-2-yl)indene-1,3-dione

C17H9NO3 — CID 71426741

IUPAC2-(3-oxoindol-2-yl)indene-1,3-dione
SMILESO=C1C(C2C(=O)c3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,13H
InChIKeyFHRMEXGDLNLJHT-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.65
Rot. Bonds1

About 2-(3-oxoindol-2-yl)indene-1,3-dione

2-(3-oxoindol-2-yl)indene-1,3-dione (PubChem CID 71426741) has the molecular formula C17H9NO3 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(3-oxoindol-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-oxoindol-2-yl)indene-1,3-dione
PubChem CID71426741
Molecular FormulaC17H9NO3
Molecular Weight275.26 g/mol
Exact Mass275.06
IUPAC Name2-(3-oxoindol-2-yl)indene-1,3-dione
SMILESO=C1C(C2C(=O)c3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,13H
InChIKeyFHRMEXGDLNLJHT-UHFFFAOYSA-N
XLogP2.65
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxoindol-2-yl)indene-1,3-dione?
The IUPAC name of 2-(3-oxoindol-2-yl)indene-1,3-dione (CID 71426741) is 2-(3-oxoindol-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(3-oxoindol-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(3-oxoindol-2-yl)indene-1,3-dione is O=C1C(C2C(=O)c3ccccc3C2=O)=Nc2ccccc21.
What is the InChIKey of 2-(3-oxoindol-2-yl)indene-1,3-dione?
The InChIKey is FHRMEXGDLNLJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,13H.
What are the key properties of 2-(3-oxoindol-2-yl)indene-1,3-dione?
2-(3-oxoindol-2-yl)indene-1,3-dione has a molecular weight of 275.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxoindol-2-yl)indene-1,3-dione is sourced from PubChem (CID 71426741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).