1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile

C16H22N2O2 — CID 61121943

IUPAC1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-12-16(8-2-1-3-9-16)18-13(19)10-15(11-14(18)20)6-4-5-7-15/h1-11H2
InChIKeyZCHLZGDTWRPWJW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.92
Rot. Bonds1

About 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile

1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile (PubChem CID 61121943) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
PubChem CID61121943
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-12-16(8-2-1-3-9-16)18-13(19)10-15(11-14(18)20)6-4-5-7-15/h1-11H2
InChIKeyZCHLZGDTWRPWJW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-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 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile (CID 61121943) is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile is N#CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCCC1.
What is the InChIKey of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
The InChIKey is ZCHLZGDTWRPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-12-16(8-2-1-3-9-16)18-13(19)10-15(11-14(18)20)6-4-5-7-15/h1-11H2.
What are the key properties of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 61121943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).