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'}

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Related Compounds

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CID 102422386
(1R,6S)-4,4,7-trimethyl-2-oxobicyclo[4.2.0]octane-7-carbonitrile
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2,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
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CID 166840021
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrate;hydrochloride
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CID 87300367
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CID 134981260
3a,4,7,7a-tetrahydroisoindole-1,3-dione;ethane
CID 90971998
2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 130791869
2-(3-hydroxybutan-2-yloxy)bicyclo[2.2.1]heptane-2-carbonitrile
CID 103376207
(3R)-3-cyclopropyl-5-ethyl-2-oxopyrrolidine-3-carbonitrile
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2-cyclopropyl-2,5-dimethylimidazolidin-4-one
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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).