4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione

C14H14N2O2 — CID 21188425

IUPAC4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(N3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-13-11-9-6-7-10(15-9)12(11)14(18)16(13)8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2
InChIKeyTWXKHEYMGIXDPA-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.93
Rot. Bonds1

About 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione

4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 21188425) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID21188425
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(N3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-13-11-9-6-7-10(15-9)12(11)14(18)16(13)8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2
InChIKeyTWXKHEYMGIXDPA-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione (CID 21188425) is 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(N3)C2C(=O)N1c1ccccc1.
What is the InChIKey of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is TWXKHEYMGIXDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-11-9-6-7-10(15-9)12(11)14(18)16(13)8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2.
What are the key properties of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 21188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).