7-ethenyl-2-oxa-7-azaspiro[3.4]octane

C8H13NO — CID 178051530

IUPAC7-ethenyl-2-oxa-7-azaspiro[3.4]octane
SMILESC=CN1CCC2(COC2)C1
InChIInChI=1S/C8H13NO/c1-2-9-4-3-8(5-9)6-10-7-8/h2H,1,3-7H2
InChIKeyRXYTYEKZUBKOQC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.85
Rot. Bonds1

About 7-ethenyl-2-oxa-7-azaspiro[3.4]octane

7-ethenyl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 178051530) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 7-ethenyl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethenyl-2-oxa-7-azaspiro[3.4]octane
PubChem CID178051530
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name7-ethenyl-2-oxa-7-azaspiro[3.4]octane
SMILESC=CN1CCC2(COC2)C1
InChIInChI=1S/C8H13NO/c1-2-9-4-3-8(5-9)6-10-7-8/h2H,1,3-7H2
InChIKeyRXYTYEKZUBKOQC-UHFFFAOYSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-ethenyl-2-oxa-7-azaspiro[3.4]octane (CID 178051530) is 7-ethenyl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-ethenyl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-ethenyl-2-oxa-7-azaspiro[3.4]octane is C=CN1CCC2(COC2)C1.
What is the InChIKey of 7-ethenyl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is RXYTYEKZUBKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-4-3-8(5-9)6-10-7-8/h2H,1,3-7H2.
What are the key properties of 7-ethenyl-2-oxa-7-azaspiro[3.4]octane?
7-ethenyl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 139.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 178051530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).