4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C15H21NO2 — CID 2883105

IUPAC4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1C1CCCCC1
InChIInChI=1S/C15H21NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-13H,1-8H2
InChIKeyAXKKQSLZEBXQJI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds1

About 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 2883105) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID2883105
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1C1CCCCC1
InChIInChI=1S/C15H21NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-13H,1-8H2
InChIKeyAXKKQSLZEBXQJI-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
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-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 2883105) is 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3)C2C(=O)N1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is AXKKQSLZEBXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-13H,1-8H2.
What are the key properties of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 247.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 2883105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).