5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one

C11H15NO — CID 59843849

IUPAC5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=CC2(CC(=O)N2)C(C)C1C
InChIInChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13)
InChIKeySBQVGNGLQGRGOI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds

About 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one

5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 59843849) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
PubChem CID59843849
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=CC2(CC(=O)N2)C(C)C1C
InChIInChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13)
InChIKeySBQVGNGLQGRGOI-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one (CID 59843849) is 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one.
What is the SMILES notation for 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one is C=C1C=CC2(CC(=O)N2)C(C)C1C.
What is the InChIKey of 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is SBQVGNGLQGRGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13).
What are the key properties of 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 59843849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).