1,2-dioxa-10-azadispiro[2.0.44.33]undecane

C8H13NO2 — CID 141187509

IUPAC1,2-dioxa-10-azadispiro[2.0.44.33]undecane
SMILESC1CCC2(C1)CNCC21OO1
InChIInChI=1S/C8H13NO2/c1-2-4-7(3-1)5-9-6-8(7)10-11-8/h9H,1-6H2
InChIKeyNVRGHFNFYHYFDE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.81
Rot. Bonds

About 1,2-dioxa-10-azadispiro[2.0.44.33]undecane

1,2-dioxa-10-azadispiro[2.0.44.33]undecane (PubChem CID 141187509) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,2-dioxa-10-azadispiro[2.0.44.33]undecane.

Molecular Properties

Compound Name1,2-dioxa-10-azadispiro[2.0.44.33]undecane
PubChem CID141187509
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,2-dioxa-10-azadispiro[2.0.44.33]undecane
SMILESC1CCC2(C1)CNCC21OO1
InChIInChI=1S/C8H13NO2/c1-2-4-7(3-1)5-9-6-8(7)10-11-8/h9H,1-6H2
InChIKeyNVRGHFNFYHYFDE-UHFFFAOYSA-N
XLogP0.81
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxa-10-azadispiro[2.0.44.33]undecane?
The IUPAC name of 1,2-dioxa-10-azadispiro[2.0.44.33]undecane (CID 141187509) is 1,2-dioxa-10-azadispiro[2.0.44.33]undecane.
What is the SMILES notation for 1,2-dioxa-10-azadispiro[2.0.44.33]undecane?
The canonical SMILES for 1,2-dioxa-10-azadispiro[2.0.44.33]undecane is C1CCC2(C1)CNCC21OO1.
What is the InChIKey of 1,2-dioxa-10-azadispiro[2.0.44.33]undecane?
The InChIKey is NVRGHFNFYHYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-7(3-1)5-9-6-8(7)10-11-8/h9H,1-6H2.
What are the key properties of 1,2-dioxa-10-azadispiro[2.0.44.33]undecane?
1,2-dioxa-10-azadispiro[2.0.44.33]undecane has a molecular weight of 155.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxa-10-azadispiro[2.0.44.33]undecane is sourced from PubChem (CID 141187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).