4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

C11H15NO2 — CID 12679902

IUPAC4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESCN1C(=O)C2C3CCC(CC3)C2C1=O
InChIInChI=1S/C11H15NO2/c1-12-10(13)8-6-2-3-7(5-4-6)9(8)11(12)14/h6-9H,2-5H2,1H3
InChIKeyYOIFGEWNCYUNBG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.04
Rot. Bonds

About 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (PubChem CID 12679902) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
PubChem CID12679902
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESCN1C(=O)C2C3CCC(CC3)C2C1=O
InChIInChI=1S/C11H15NO2/c1-12-10(13)8-6-2-3-7(5-4-6)9(8)11(12)14/h6-9H,2-5H2,1H3
InChIKeyYOIFGEWNCYUNBG-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.04
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-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The IUPAC name of 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (CID 12679902) is 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.
What is the SMILES notation for 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The canonical SMILES for 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is CN1C(=O)C2C3CCC(CC3)C2C1=O.
What is the InChIKey of 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The InChIKey is YOIFGEWNCYUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10(13)8-6-2-3-7(5-4-6)9(8)11(12)14/h6-9H,2-5H2,1H3.
What are the key properties of 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is sourced from PubChem (CID 12679902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).