4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C19H17NO2 — CID 3118003

IUPAC4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-4,7-8,10,13-14,16-17H,5-6,9H2
InChIKeyPKGRGIOXIVSKAR-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.38
Rot. Bonds1

About 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 3118003) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID3118003
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-4,7-8,10,13-14,16-17H,5-6,9H2
InChIKeyPKGRGIOXIVSKAR-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 3118003) is 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3)C2C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is PKGRGIOXIVSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-4,7-8,10,13-14,16-17H,5-6,9H2.
What are the key properties of 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 291.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 3118003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).