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

C7H13NO2 — CID 22967039

IUPAC7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCN1CCC2(C1)OCCO2
InChIInChI=1S/C7H13NO2/c1-8-3-2-7(6-8)9-4-5-10-7/h2-6H2,1H3
InChIKeyFRYOVMODXARUOV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds

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

7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 22967039) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID22967039
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCN1CCC2(C1)OCCO2
InChIInChI=1S/C7H13NO2/c1-8-3-2-7(6-8)9-4-5-10-7/h2-6H2,1H3
InChIKeyFRYOVMODXARUOV-UHFFFAOYSA-N
XLogP0.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 22967039) is 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is CN1CCC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is FRYOVMODXARUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-3-2-7(6-8)9-4-5-10-7/h2-6H2,1H3.
What are the key properties of 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 143.19 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 22967039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).