4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

C13H20N2O3 — CID 112598786

IUPAC4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCC(C)N1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-9(2)15-11(17)13(10(16)14-12(15)18)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyVNILOWNGDYQBRW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.81
Rot. Bonds1

About 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (PubChem CID 112598786) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.

Molecular Properties

Compound Name4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
PubChem CID112598786
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCC(C)N1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-9(2)15-11(17)13(10(16)14-12(15)18)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyVNILOWNGDYQBRW-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione 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

9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948163
7-but-3-yn-2-yl-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 114421008
8-[1-(furan-2-yl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599303
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947597

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The IUPAC name of 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (CID 112598786) is 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.
What is the SMILES notation for 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The canonical SMILES for 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is CC(C)N1C(=O)NC(=O)C2(CCCCCC2)C1=O.
What is the InChIKey of 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The InChIKey is VNILOWNGDYQBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)15-11(17)13(10(16)14-12(15)18)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,16,18).
What are the key properties of 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione has a molecular weight of 252.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is sourced from PubChem (CID 112598786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).