1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

C11H19NO2 — CID 20743804

IUPAC1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCCC1CC2(CNC(=O)C2)C(CC)O1
InChIInChI=1S/C11H19NO2/c1-3-8-5-11(9(4-2)14-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyILKKERRZJXFDDY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (PubChem CID 20743804) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
PubChem CID20743804
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCCC1CC2(CNC(=O)C2)C(CC)O1
InChIInChI=1S/C11H19NO2/c1-3-8-5-11(9(4-2)14-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyILKKERRZJXFDDY-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The IUPAC name of 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (CID 20743804) is 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.
What is the SMILES notation for 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The canonical SMILES for 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is CCC1CC2(CNC(=O)C2)C(CC)O1.
What is the InChIKey of 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The InChIKey is ILKKERRZJXFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-8-5-11(9(4-2)14-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is sourced from PubChem (CID 20743804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).