2,2-dimethoxy-6-azaspiro[3.4]octane

C9H17NO2 — CID 121207152

IUPAC2,2-dimethoxy-6-azaspiro[3.4]octane
SMILESCOC1(OC)CC2(CCNC2)C1
InChIInChI=1S/C9H17NO2/c1-11-9(12-2)5-8(6-9)3-4-10-7-8/h10H,3-7H2,1-2H3
InChIKeyDOIQAESWQCGFLE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds2

About 2,2-dimethoxy-6-azaspiro[3.4]octane

2,2-dimethoxy-6-azaspiro[3.4]octane (PubChem CID 121207152) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethoxy-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,2-dimethoxy-6-azaspiro[3.4]octane
PubChem CID121207152
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethoxy-6-azaspiro[3.4]octane
SMILESCOC1(OC)CC2(CCNC2)C1
InChIInChI=1S/C9H17NO2/c1-11-9(12-2)5-8(6-9)3-4-10-7-8/h10H,3-7H2,1-2H3
InChIKeyDOIQAESWQCGFLE-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-6-azaspiro[3.4]octane?
The IUPAC name of 2,2-dimethoxy-6-azaspiro[3.4]octane (CID 121207152) is 2,2-dimethoxy-6-azaspiro[3.4]octane.
What is the SMILES notation for 2,2-dimethoxy-6-azaspiro[3.4]octane?
The canonical SMILES for 2,2-dimethoxy-6-azaspiro[3.4]octane is COC1(OC)CC2(CCNC2)C1.
What is the InChIKey of 2,2-dimethoxy-6-azaspiro[3.4]octane?
The InChIKey is DOIQAESWQCGFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-9(12-2)5-8(6-9)3-4-10-7-8/h10H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethoxy-6-azaspiro[3.4]octane?
2,2-dimethoxy-6-azaspiro[3.4]octane has a molecular weight of 171.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-6-azaspiro[3.4]octane is sourced from PubChem (CID 121207152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).