4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C19H15NO2 — CID 3321745

IUPAC4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C19H15NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-9,12-13,16-17H,10H2
InChIKeyZQKAEDZRDAKWCT-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.15
Rot. Bonds1

About 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 3321745) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID3321745
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C19H15NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-9,12-13,16-17H,10H2
InChIKeyZQKAEDZRDAKWCT-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 3321745) is 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is ZQKAEDZRDAKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-18-16-12-8-9-13(10-12)17(16)19(22)20(18)15-7-3-5-11-4-1-2-6-14(11)15/h1-9,12-13,16-17H,10H2.
What are the key properties of 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 289.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 3321745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).