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

C15H22N2O2 — CID 61121948

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,11-16)17-12(18)9-14(10-13(17)19)7-5-6-8-14/h3-10H2,1-2H3
InChIKeyKJPKCTZOAJPBND-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.78
Rot. Bonds3

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

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile (PubChem CID 61121948) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile
PubChem CID61121948
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,11-16)17-12(18)9-14(10-13(17)19)7-5-6-8-14/h3-10H2,1-2H3
InChIKeyKJPKCTZOAJPBND-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile (CID 61121948) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile is CCC(C#N)(CC)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile?
The InChIKey is KJPKCTZOAJPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2,11-16)17-12(18)9-14(10-13(17)19)7-5-6-8-14/h3-10H2,1-2H3.
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile 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 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanenitrile is sourced from PubChem (CID 61121948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).