9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C13H20N2O3 — CID 112598654

IUPAC9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(C)C(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9(3)15-11(17)13(6-4-5-7-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyODIFCOOEWCUZJO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.67
Rot. Bonds2

About 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 112598654) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID112598654
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(C)C(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9(3)15-11(17)13(6-4-5-7-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyODIFCOOEWCUZJO-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
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-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947127
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
9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
8-[1-(furan-2-yl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599303

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 112598654) is 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC(C)C(C)N1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is ODIFCOOEWCUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)9(3)15-11(17)13(6-4-5-7-13)10(16)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 252.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 112598654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).