1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile

C16H22N2O2 — CID 103551848

IUPAC1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(N2C(=O)C3CCC(C3)C2=O)CCCCCCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(8-4-2-1-3-5-9-16)18-14(19)12-6-7-13(10-12)15(18)20/h12-13H,1-10H2
InChIKeyFUAGINCHUAURKI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.78
Rot. Bonds1

About 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile

1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile (PubChem CID 103551848) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile
PubChem CID103551848
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(N2C(=O)C3CCC(C3)C2=O)CCCCCCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(8-4-2-1-3-5-9-16)18-14(19)12-6-7-13(10-12)15(18)20/h12-13H,1-10H2
InChIKeyFUAGINCHUAURKI-UHFFFAOYSA-N
XLogP2.78
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
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 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile (CID 103551848) is 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile is N#CC1(N2C(=O)C3CCC(C3)C2=O)CCCCCCC1.
What is the InChIKey of 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile?
The InChIKey is FUAGINCHUAURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-11-16(8-4-2-1-3-5-9-16)18-14(19)12-6-7-13(10-12)15(18)20/h12-13H,1-10H2.
What are the key properties of 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile?
1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile is sourced from PubChem (CID 103551848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).