7-ethyl-2-oxa-7-azaspiro[3.5]nonane

C9H17NO — CID 70371684

IUPAC7-ethyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)COC2
InChIInChI=1S/C9H17NO/c1-2-10-5-3-9(4-6-10)7-11-8-9/h2-8H2,1H3
InChIKeyPVJATBYNUDCTSA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds1

About 7-ethyl-2-oxa-7-azaspiro[3.5]nonane

7-ethyl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 70371684) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 7-ethyl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID70371684
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name7-ethyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)COC2
InChIInChI=1S/C9H17NO/c1-2-10-5-3-9(4-6-10)7-11-8-9/h2-8H2,1H3
InChIKeyPVJATBYNUDCTSA-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-2-oxa-7-azaspiro[3.5]nonane (CID 70371684) is 7-ethyl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-2-oxa-7-azaspiro[3.5]nonane is CCN1CCC2(CC1)COC2.
What is the InChIKey of 7-ethyl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is PVJATBYNUDCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-5-3-9(4-6-10)7-11-8-9/h2-8H2,1H3.
What are the key properties of 7-ethyl-2-oxa-7-azaspiro[3.5]nonane?
7-ethyl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 155.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 70371684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).