1-ethyl-7-oxa-1-azaspiro[4.4]nonane

C9H17NO — CID 130223312

IUPAC1-ethyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCN1CCCC12CCOC2
InChIInChI=1S/C9H17NO/c1-2-10-6-3-4-9(10)5-7-11-8-9/h2-8H2,1H3
InChIKeyTVYVZAUVOPEKKY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds1

About 1-ethyl-7-oxa-1-azaspiro[4.4]nonane

1-ethyl-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 130223312) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-ethyl-7-oxa-1-azaspiro[4.4]nonane
PubChem CID130223312
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-ethyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCN1CCCC12CCOC2
InChIInChI=1S/C9H17NO/c1-2-10-6-3-4-9(10)5-7-11-8-9/h2-8H2,1H3
InChIKeyTVYVZAUVOPEKKY-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-ethyl-7-oxa-1-azaspiro[4.4]nonane (CID 130223312) is 1-ethyl-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-ethyl-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-ethyl-7-oxa-1-azaspiro[4.4]nonane is CCN1CCCC12CCOC2.
What is the InChIKey of 1-ethyl-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is TVYVZAUVOPEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-6-3-4-9(10)5-7-11-8-9/h2-8H2,1H3.
What are the key properties of 1-ethyl-7-oxa-1-azaspiro[4.4]nonane?
1-ethyl-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 155.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 130223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).