10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile

C14H18N2O2 — CID 166893192

IUPAC10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile
SMILESCC1(C#N)CC2CCC1CC1C(=O)NC(=O)C1C2
InChIInChI=1S/C14H18N2O2/c1-14(7-15)6-8-2-3-9(14)5-11-10(4-8)12(17)16-13(11)18/h8-11H,2-6H2,1H3,(H,16,17,18)
InChIKeyDUUXTKZSOXQWOC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds

About 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile

10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile (PubChem CID 166893192) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile.

Molecular Properties

Compound Name10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile
PubChem CID166893192
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile
SMILESCC1(C#N)CC2CCC1CC1C(=O)NC(=O)C1C2
InChIInChI=1S/C14H18N2O2/c1-14(7-15)6-8-2-3-9(14)5-11-10(4-8)12(17)16-13(11)18/h8-11H,2-6H2,1H3,(H,16,17,18)
InChIKeyDUUXTKZSOXQWOC-UHFFFAOYSA-N
XLogP1.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile?
The IUPAC name of 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile (CID 166893192) is 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile.
What is the SMILES notation for 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile?
The canonical SMILES for 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile is CC1(C#N)CC2CCC1CC1C(=O)NC(=O)C1C2.
What is the InChIKey of 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile?
The InChIKey is DUUXTKZSOXQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(7-15)6-8-2-3-9(14)5-11-10(4-8)12(17)16-13(11)18/h8-11H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile?
10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile is sourced from PubChem (CID 166893192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).