2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile

C14H20N2O2 — CID 54904391

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
SMILESCCCC(C#N)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-2-5-11(10-15)16-12(17)8-14(9-13(16)18)6-3-4-7-14/h11H,2-9H2,1H3
InChIKeyPRTAYXFDFXGGSW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds3

About 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile (PubChem CID 54904391) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
PubChem CID54904391
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile
SMILESCCCC(C#N)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-2-5-11(10-15)16-12(17)8-14(9-13(16)18)6-3-4-7-14/h11H,2-9H2,1H3
InChIKeyPRTAYXFDFXGGSW-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 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile (CID 54904391) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile is CCCC(C#N)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
The InChIKey is PRTAYXFDFXGGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-5-11(10-15)16-12(17)8-14(9-13(16)18)6-3-4-7-14/h11H,2-9H2,1H3.
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile?
2-(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 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanenitrile is sourced from PubChem (CID 54904391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).