1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one

C11H17NO2 — CID 89405333

IUPAC1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCON1C(=O)C=CC12CCC(C)CC2
InChIInChI=1S/C11H17NO2/c1-9-3-6-11(7-4-9)8-5-10(13)12(11)14-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyNCELLLQQXUFIDO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.90
Rot. Bonds1

About 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one

1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 89405333) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID89405333
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCON1C(=O)C=CC12CCC(C)CC2
InChIInChI=1S/C11H17NO2/c1-9-3-6-11(7-4-9)8-5-10(13)12(11)14-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyNCELLLQQXUFIDO-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one (CID 89405333) is 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one is CON1C(=O)C=CC12CCC(C)CC2.
What is the InChIKey of 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is NCELLLQQXUFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-3-6-11(7-4-9)8-5-10(13)12(11)14-2/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 89405333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).