2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one

C9H14N2O — CID 51345879

IUPAC2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O/c1-7-10-8(12)9(11-7)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyOTWQJUJEQXGFBE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.24
Rot. Bonds

About 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one

2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 51345879) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID51345879
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O/c1-7-10-8(12)9(11-7)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyOTWQJUJEQXGFBE-UHFFFAOYSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-Ethyl-8,8-difluoro-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 126673783
8,8-Difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 126673886
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 19422619
2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
CID 19422621
2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
CID 19422650
2-Methyl-1,3-diazaspiro[4.4]non-1-EN-4-one
CID 20747568
2-Butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54556101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 51345879) is 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCCCC2)C(=O)N1.
What is the InChIKey of 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is OTWQJUJEQXGFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-10-8(12)9(11-7)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 51345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).