1-oxa-7-azaspiro[4.4]nonane

C7H13NO — CID 21412346

IUPAC1-oxa-7-azaspiro[4.4]nonane
SMILESC1COC2(C1)CCNC2
InChIInChI=1S/C7H13NO/c1-2-7(9-5-1)3-4-8-6-7/h8H,1-6H2
InChIKeyTUDSQZVIXYHEHF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About 1-oxa-7-azaspiro[4.4]nonane

1-oxa-7-azaspiro[4.4]nonane (PubChem CID 21412346) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonane
PubChem CID21412346
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-oxa-7-azaspiro[4.4]nonane
SMILESC1COC2(C1)CCNC2
InChIInChI=1S/C7H13NO/c1-2-7(9-5-1)3-4-8-6-7/h8H,1-6H2
InChIKeyTUDSQZVIXYHEHF-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonane (CID 21412346) is 1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonane is C1COC2(C1)CCNC2.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is TUDSQZVIXYHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(9-5-1)3-4-8-6-7/h8H,1-6H2.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonane?
1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 127.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 21412346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).