spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione

C10H13NO4 — CID 58899546

IUPACspiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione
SMILESO=C1OCC2(CO1)C(=O)C1CCN2CC1
InChIInChI=1S/C10H13NO4/c12-8-7-1-3-11(4-2-7)10(8)5-14-9(13)15-6-10/h7H,1-6H2
InChIKeyYMMBMJRCBIATTG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.19
Rot. Bonds

About spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione

spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione (PubChem CID 58899546) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione.

Molecular Properties

Compound Namespiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione
PubChem CID58899546
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namespiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione
SMILESO=C1OCC2(CO1)C(=O)C1CCN2CC1
InChIInChI=1S/C10H13NO4/c12-8-7-1-3-11(4-2-7)10(8)5-14-9(13)15-6-10/h7H,1-6H2
InChIKeyYMMBMJRCBIATTG-UHFFFAOYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione?
The IUPAC name of spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione (CID 58899546) is spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione.
What is the SMILES notation for spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione?
The canonical SMILES for spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione is O=C1OCC2(CO1)C(=O)C1CCN2CC1.
What is the InChIKey of spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione?
The InChIKey is YMMBMJRCBIATTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-7-1-3-11(4-2-7)10(8)5-14-9(13)15-6-10/h7H,1-6H2.
What are the key properties of spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione?
spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione has a molecular weight of 211.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxane-5,2'-1-azabicyclo[2.2.2]octane]-2,3'-dione is sourced from PubChem (CID 58899546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).