3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile

C14H20N2O2 — CID 55101165

IUPAC3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
SMILESCCC(CC#N)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-2-11(5-8-15)16-12(17)9-14(10-13(16)18)6-3-4-7-14/h11H,2-7,9-10H2,1H3
InChIKeyCXUDKNFPWRQWGY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds3

About 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile

3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile (PubChem CID 55101165) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile.

Molecular Properties

Compound Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
PubChem CID55101165
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
SMILESCCC(CC#N)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-2-11(5-8-15)16-12(17)9-14(10-13(16)18)6-3-4-7-14/h11H,2-7,9-10H2,1H3
InChIKeyCXUDKNFPWRQWGY-UHFFFAOYSA-N
XLogP2.39
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
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 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The IUPAC name of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile (CID 55101165) is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile.
What is the SMILES notation for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The canonical SMILES for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile is CCC(CC#N)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The InChIKey is CXUDKNFPWRQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11(5-8-15)16-12(17)9-14(10-13(16)18)6-3-4-7-14/h11H,2-7,9-10H2,1H3.
What are the key properties of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile is sourced from PubChem (CID 55101165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).