8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C14H20N2O3 — CID 112598608

IUPAC8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC1CCCCC1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H20N2O3/c1-9-5-2-3-6-10(9)16-12(18)14(7-4-8-14)11(17)15-13(16)19/h9-10H,2-8H2,1H3,(H,15,17,19)
InChIKeyHEIMJNZADPPXMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds1

About 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112598608) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112598608
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC1CCCCC1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H20N2O3/c1-9-5-2-3-6-10(9)16-12(18)14(7-4-8-14)11(17)15-13(16)19/h9-10H,2-8H2,1H3,(H,15,17,19)
InChIKeyHEIMJNZADPPXMA-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
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-(2-bicyclo[2.2.1]heptanyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948429
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948459
8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599999
4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947861
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
8-(1-methylpiperidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599647
4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112600000
8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948583
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947312
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945906
4-(thiolan-3-yl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 103065550
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112598608) is 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC1CCCCC1N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is HEIMJNZADPPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-2-3-6-10(9)16-12(18)14(7-4-8-14)11(17)15-13(16)19/h9-10H,2-8H2,1H3,(H,15,17,19).
What are the key properties of 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 264.32 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 8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112598608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).