6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

C7H13NO2 — CID 129125876

IUPAC6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1NCCC12OCCO2
InChIInChI=1S/C7H13NO2/c1-6-7(2-3-8-6)9-4-5-10-7/h6,8H,2-5H2,1H3
InChIKeyIOPSLRVWUWFVFD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.11
Rot. Bonds

About 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 129125876) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID129125876
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1NCCC12OCCO2
InChIInChI=1S/C7H13NO2/c1-6-7(2-3-8-6)9-4-5-10-7/h6,8H,2-5H2,1H3
InChIKeyIOPSLRVWUWFVFD-UHFFFAOYSA-N
XLogP0.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 129125876) is 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is CC1NCCC12OCCO2.
What is the InChIKey of 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is IOPSLRVWUWFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-7(2-3-8-6)9-4-5-10-7/h6,8H,2-5H2,1H3.
What are the key properties of 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 143.19 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 129125876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).