3-oxa-1,7-diazaspiro[4.4]nonane

C6H12N2O — CID 23111908

IUPAC3-oxa-1,7-diazaspiro[4.4]nonane
SMILESC1CC2(CN1)COCN2
InChIInChI=1S/C6H12N2O/c1-2-7-3-6(1)4-9-5-8-6/h7-8H,1-5H2
InChIKeyYVYSFZYPEXFPDS-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.70
Rot. Bonds

About 3-oxa-1,7-diazaspiro[4.4]nonane

3-oxa-1,7-diazaspiro[4.4]nonane (PubChem CID 23111908) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-oxa-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name3-oxa-1,7-diazaspiro[4.4]nonane
PubChem CID23111908
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-oxa-1,7-diazaspiro[4.4]nonane
SMILESC1CC2(CN1)COCN2
InChIInChI=1S/C6H12N2O/c1-2-7-3-6(1)4-9-5-8-6/h7-8H,1-5H2
InChIKeyYVYSFZYPEXFPDS-UHFFFAOYSA-N
XLogP-0.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonane (CID 23111908) is 3-oxa-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 3-oxa-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 3-oxa-1,7-diazaspiro[4.4]nonane is C1CC2(CN1)COCN2.
What is the InChIKey of 3-oxa-1,7-diazaspiro[4.4]nonane?
The InChIKey is YVYSFZYPEXFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-7-3-6(1)4-9-5-8-6/h7-8H,1-5H2.
What are the key properties of 3-oxa-1,7-diazaspiro[4.4]nonane?
3-oxa-1,7-diazaspiro[4.4]nonane has a molecular weight of 128.18 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 23111908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).