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'}

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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).