8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one

C15H25NO — CID 118971597

IUPAC8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one
SMILESCC1=CCC2(CC1)CCN(CCC(C)C)C2=O
InChIInChI=1S/C15H25NO/c1-12(2)6-10-16-11-9-15(14(16)17)7-4-13(3)5-8-15/h4,12H,5-11H2,1-3H3
InChIKeySQJGZOYNUXOCLD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds3

About 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one

8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one (PubChem CID 118971597) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one.

Molecular Properties

Compound Name8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one
PubChem CID118971597
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one
SMILESCC1=CCC2(CC1)CCN(CCC(C)C)C2=O
InChIInChI=1S/C15H25NO/c1-12(2)6-10-16-11-9-15(14(16)17)7-4-13(3)5-8-15/h4,12H,5-11H2,1-3H3
InChIKeySQJGZOYNUXOCLD-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one?
The IUPAC name of 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one (CID 118971597) is 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one.
What is the SMILES notation for 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one?
The canonical SMILES for 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one is CC1=CCC2(CC1)CCN(CCC(C)C)C2=O.
What is the InChIKey of 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one?
The InChIKey is SQJGZOYNUXOCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)6-10-16-11-9-15(14(16)17)7-4-13(3)5-8-15/h4,12H,5-11H2,1-3H3.
What are the key properties of 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one?
8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methylbutyl)-2-azaspiro[4.5]dec-7-en-1-one is sourced from PubChem (CID 118971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).