1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

C11H19NO2 — CID 131101587

IUPAC1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCC1(C)NC(=O)CC12CCOC2(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)11(7-8(13)12-9)5-6-14-10(11,3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyWKQKCVHWNYIFDF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds

About 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (PubChem CID 131101587) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
PubChem CID131101587
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCC1(C)NC(=O)CC12CCOC2(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)11(7-8(13)12-9)5-6-14-10(11,3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyWKQKCVHWNYIFDF-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The IUPAC name of 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (CID 131101587) is 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.
What is the SMILES notation for 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The canonical SMILES for 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is CC1(C)NC(=O)CC12CCOC2(C)C.
What is the InChIKey of 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The InChIKey is WKQKCVHWNYIFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)11(7-8(13)12-9)5-6-14-10(11,3)4/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6,6-tetramethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is sourced from PubChem (CID 131101587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).