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

C15H24N2O3 — CID 115949090

IUPAC9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(14(2,3)4)9-17-12(19)15(7-5-6-8-15)11(18)16-13(17)20/h10H,5-9H2,1-4H3,(H,16,18,20)
InChIKeyBDBRDYDAWQGDKX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.31
Rot. Bonds2

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

9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115949090) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115949090
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(14(2,3)4)9-17-12(19)15(7-5-6-8-15)11(18)16-13(17)20/h10H,5-9H2,1-4H3,(H,16,18,20)
InChIKeyBDBRDYDAWQGDKX-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.31
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

8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947575
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 106276993
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115949090) is 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)C(C)(C)C.
What is the InChIKey of 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is BDBRDYDAWQGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(14(2,3)4)9-17-12(19)15(7-5-6-8-15)11(18)16-13(17)20/h10H,5-9H2,1-4H3,(H,16,18,20).
What are the key properties of 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 280.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115949090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).