9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C16H24N2O3 — CID 115948526

IUPAC9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC1(C)CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)9-5-11(6-10-15)18-13(20)16(7-3-4-8-16)12(19)17-14(18)21/h11H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyZMPGRMZTVZNXGF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds1

About 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115948526) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115948526
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC1(C)CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)9-5-11(6-10-15)18-13(20)16(7-3-4-8-16)12(19)17-14(18)21/h11H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyZMPGRMZTVZNXGF-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
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

1-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112600000
4-(thiolan-3-yl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 103065550
8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599999
8-(1-methylpiperidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599647
8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598608
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947312
4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947861
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599828
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948459
4-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948429
1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601318

Frequently Asked Questions

What is the IUPAC name of 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115948526) is 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC1(C)CCC(N2C(=O)NC(=O)C3(CCCC3)C2=O)CC1.
What is the InChIKey of 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is ZMPGRMZTVZNXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2)9-5-11(6-10-15)18-13(20)16(7-3-4-8-16)12(19)17-14(18)21/h11H,3-10H2,1-2H3,(H,17,19,21).
What are the key properties of 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 292.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).