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

C15H15NO2 — CID 548819

IUPAC4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2
InChIKeyAPOBYZSYMJNZIE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.22
Rot. Bonds1

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

4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 548819) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID548819
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2
InChIKeyAPOBYZSYMJNZIE-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 3446292
(1S,2R,6S,7R)-4-(4-aminophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 7123151
4-(4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 5094599
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
(1S,2S,6R,7R)-4-(4-phenylmethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11870124
[3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] benzoate
CID 11881592
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
CID 2931769
2-[[4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl]carbamoyl]benzoic acid
CID 11900775
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(1S,2R,6R,7S)-4-(2-sulfanylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124765665

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 548819) is 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3)C2C(=O)N1c1ccccc1.
What is the InChIKey of 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is APOBYZSYMJNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2.
What are the key properties of 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 548819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).