3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile

C15H22N2O2 — CID 62646183

IUPAC3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile
SMILESCCC(CC#N)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H22N2O2/c1-2-12(7-10-16)17-13(18)11-15(14(17)19)8-5-3-4-6-9-15/h12H,2-9,11H2,1H3
InChIKeyIHPUXBGXCYMRJR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.78
Rot. Bonds3

About 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile

3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile (PubChem CID 62646183) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile
PubChem CID62646183
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile
SMILESCCC(CC#N)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H22N2O2/c1-2-12(7-10-16)17-13(18)11-15(14(17)19)8-5-3-4-6-9-15/h12H,2-9,11H2,1H3
InChIKeyIHPUXBGXCYMRJR-UHFFFAOYSA-N
XLogP2.78
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)pentanenitrile
CID 62646537
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)butanenitrile
CID 61122730
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)propanenitrile
CID 54904488
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131
2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106159175
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid
CID 43470102
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile
CID 31580120
3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)pentanenitrile
CID 103551858
2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63764615

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile (CID 62646183) is 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile is CCC(CC#N)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile?
The InChIKey is IHPUXBGXCYMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-12(7-10-16)17-13(18)11-15(14(17)19)8-5-3-4-6-9-15/h12H,2-9,11H2,1H3.
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile?
3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile is sourced from PubChem (CID 62646183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).