2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate

C11H19NO3 — CID 175995179

IUPAC2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate
SMILESCC(=O)OCCOC1CC2(CCNC2)C1
InChIInChI=1S/C11H19NO3/c1-9(13)14-4-5-15-10-6-11(7-10)2-3-12-8-11/h10,12H,2-8H2,1H3
InChIKeyCGBAWJZQWPESGV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds4

About 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate

2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate (PubChem CID 175995179) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate.

Molecular Properties

Compound Name2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate
PubChem CID175995179
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate
SMILESCC(=O)OCCOC1CC2(CCNC2)C1
InChIInChI=1S/C11H19NO3/c1-9(13)14-4-5-15-10-6-11(7-10)2-3-12-8-11/h10,12H,2-8H2,1H3
InChIKeyCGBAWJZQWPESGV-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate?
The IUPAC name of 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate (CID 175995179) is 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate.
What is the SMILES notation for 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate?
The canonical SMILES for 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate is CC(=O)OCCOC1CC2(CCNC2)C1.
What is the InChIKey of 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate?
The InChIKey is CGBAWJZQWPESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)14-4-5-15-10-6-11(7-10)2-3-12-8-11/h10,12H,2-8H2,1H3.
What are the key properties of 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate?
2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[3.4]octan-2-yloxy)ethyl acetate is sourced from PubChem (CID 175995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).