1,2-dioxa-9-azaspiro[5.5]undecane

C8H15NO2 — CID 87835110

IUPAC1,2-dioxa-9-azaspiro[5.5]undecane
SMILESC1COOC2(C1)CCNCC2
InChIInChI=1S/C8H15NO2/c1-2-8(11-10-7-1)3-5-9-6-4-8/h9H,1-7H2
InChIKeyHDFCEWMYAFADPA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds

About 1,2-dioxa-9-azaspiro[5.5]undecane

1,2-dioxa-9-azaspiro[5.5]undecane (PubChem CID 87835110) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1,2-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1,2-dioxa-9-azaspiro[5.5]undecane
PubChem CID87835110
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1,2-dioxa-9-azaspiro[5.5]undecane
SMILESC1COOC2(C1)CCNCC2
InChIInChI=1S/C8H15NO2/c1-2-8(11-10-7-1)3-5-9-6-4-8/h9H,1-7H2
InChIKeyHDFCEWMYAFADPA-UHFFFAOYSA-N
XLogP0.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 1,2-dioxa-9-azaspiro[5.5]undecane (CID 87835110) is 1,2-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 1,2-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 1,2-dioxa-9-azaspiro[5.5]undecane is C1COOC2(C1)CCNCC2.
What is the InChIKey of 1,2-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is HDFCEWMYAFADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-8(11-10-7-1)3-5-9-6-4-8/h9H,1-7H2.
What are the key properties of 1,2-dioxa-9-azaspiro[5.5]undecane?
1,2-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 157.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 87835110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).