2-oxa-5-azaspiro[3.4]octane

C6H11NO — CID 54759126

IUPAC2-oxa-5-azaspiro[3.4]octane
SMILESC1CNC2(C1)COC2
InChIInChI=1S/C6H11NO/c1-2-6(7-3-1)4-8-5-6/h7H,1-5H2
InChIKeyVLQFZIFJADDQOU-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds

About 2-oxa-5-azaspiro[3.4]octane

2-oxa-5-azaspiro[3.4]octane (PubChem CID 54759126) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-oxa-5-azaspiro[3.4]octane
PubChem CID54759126
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-oxa-5-azaspiro[3.4]octane
SMILESC1CNC2(C1)COC2
InChIInChI=1S/C6H11NO/c1-2-6(7-3-1)4-8-5-6/h7H,1-5H2
InChIKeyVLQFZIFJADDQOU-UHFFFAOYSA-N
XLogP0.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 2-oxa-5-azaspiro[3.4]octane (CID 54759126) is 2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 2-oxa-5-azaspiro[3.4]octane is C1CNC2(C1)COC2.
What is the InChIKey of 2-oxa-5-azaspiro[3.4]octane?
The InChIKey is VLQFZIFJADDQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6(7-3-1)4-8-5-6/h7H,1-5H2.
What are the key properties of 2-oxa-5-azaspiro[3.4]octane?
2-oxa-5-azaspiro[3.4]octane has a molecular weight of 113.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 54759126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).