9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione

C15H24N2O3 — CID 115947707

IUPAC9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCCC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-8-11(2)17-13(19)15(9-6-7-10-15)12(18)16-14(17)20/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyIUTJTROSPDEQLG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds5

About 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115947707) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115947707
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCCCCC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-8-11(2)17-13(19)15(9-6-7-10-15)12(18)16-14(17)20/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyIUTJTROSPDEQLG-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600943
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
9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947597
9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948163
(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775

Frequently Asked Questions

What is the IUPAC name of 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115947707) is 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione is CCCCCC(C)N1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is IUTJTROSPDEQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-5-8-11(2)17-13(19)15(9-6-7-10-15)12(18)16-14(17)20/h11H,3-10H2,1-2H3,(H,16,18,20).
What are the key properties of 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 280.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115947707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).