2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C11H19N3O — CID 66827413

IUPAC2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-10(2,3)8-13-9(15)11(14-8)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGSWBCKKWEHSVDE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.68
Rot. Bonds

About 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 66827413) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID66827413
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-10(2,3)8-13-9(15)11(14-8)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGSWBCKKWEHSVDE-UHFFFAOYSA-N
XLogP0.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 66827413) is 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)(C)C1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is GSWBCKKWEHSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)8-13-9(15)11(14-8)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 66827413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).