3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one

C14H23NO — CID 159528683

IUPAC3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one
SMILESCC1=C(C(C)(C)C)C(=O)C2(CCNCC2)C1
InChIInChI=1S/C14H23NO/c1-10-9-14(5-7-15-8-6-14)12(16)11(10)13(2,3)4/h15H,5-9H2,1-4H3
InChIKeyMCSCVDLRWVBAHH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.69
Rot. Bonds

About 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one

3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one (PubChem CID 159528683) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one
PubChem CID159528683
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one
SMILESCC1=C(C(C)(C)C)C(=O)C2(CCNCC2)C1
InChIInChI=1S/C14H23NO/c1-10-9-14(5-7-15-8-6-14)12(16)11(10)13(2,3)4/h15H,5-9H2,1-4H3
InChIKeyMCSCVDLRWVBAHH-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320250
2-[2-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320430
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
4,4-Dimethyl-6-methylidene-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53815165
3-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 53991026
4,4-Dimethyl-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 54470206
3-(3,55-Diazaspiro[5.51]heptapentacontan-3-yl)-2-methylcyclopent-2-en-1-one
CID 118197072
1-(4,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydroisoquinolin-7-yl)ethanone
CID 123324160
7-Azaspiro[4.5]dec-3-en-2-one
CID 140995661
2-Methyl-8-azaspiro[4.5]dec-2-en-4-one
CID 153548821
3-Tert-butyl-8-azaspiro[4.5]dec-2-en-4-one
CID 162347068
2,4,4-Trimethyl-3-[15-(methylamino)pentadecyl]cyclohex-2-en-1-one
CID 162724267

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one (CID 159528683) is 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one is CC1=C(C(C)(C)C)C(=O)C2(CCNCC2)C1.
What is the InChIKey of 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one?
The InChIKey is MCSCVDLRWVBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-9-14(5-7-15-8-6-14)12(16)11(10)13(2,3)4/h15H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one?
3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one has a molecular weight of 221.34 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 159528683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).