2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione

C19H13NO3 — CID 152965292

IUPAC2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione
SMILESO=C1C2CCC1c1c2cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H13NO3/c21-17-11-8-9-14(17)16-10(11)6-3-7-15(16)20-18(22)12-4-1-2-5-13(12)19(20)23/h1-7,11,14H,8-9H2
InChIKeyURJUXFOFIHBTEG-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.03
Rot. Bonds1

About 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione

2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione (PubChem CID 152965292) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione
PubChem CID152965292
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione
SMILESO=C1C2CCC1c1c2cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H13NO3/c21-17-11-8-9-14(17)16-10(11)6-3-7-15(16)20-18(22)12-4-1-2-5-13(12)19(20)23/h1-7,11,14H,8-9H2
InChIKeyURJUXFOFIHBTEG-UHFFFAOYSA-N
XLogP3.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
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 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione?
The IUPAC name of 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione (CID 152965292) is 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione?
The canonical SMILES for 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione is O=C1C2CCC1c1c2cccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione?
The InChIKey is URJUXFOFIHBTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-17-11-8-9-14(17)16-10(11)6-3-7-15(16)20-18(22)12-4-1-2-5-13(12)19(20)23/h1-7,11,14H,8-9H2.
What are the key properties of 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione?
2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-oxo-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoindole-1,3-dione is sourced from PubChem (CID 152965292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).