ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one

C11H21NO2 — CID 171846151

IUPACethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one
SMILESCC.CCN1C(=O)CCCC12COC2
InChIInChI=1S/C9H15NO2.C2H6/c1-2-10-8(11)4-3-5-9(10)6-12-7-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyNSOFCNOXHANPDE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds1

About ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one

ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one (PubChem CID 171846151) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Nameethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one
PubChem CID171846151
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one
SMILESCC.CCN1C(=O)CCCC12COC2
InChIInChI=1S/C9H15NO2.C2H6/c1-2-10-8(11)4-3-5-9(10)6-12-7-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyNSOFCNOXHANPDE-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one (CID 171846151) is ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one is CC.CCN1C(=O)CCCC12COC2.
What is the InChIKey of ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one?
The InChIKey is NSOFCNOXHANPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-2-10-8(11)4-3-5-9(10)6-12-7-9;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one?
ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-oxa-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 171846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).