(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione

C9H12N2O3 — CID 129452353

IUPAC(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC[C@]1(C)CC12C(=O)NC(=O)NC2=O
InChIInChI=1S/C9H12N2O3/c1-3-8(2)4-9(8)5(12)10-7(14)11-6(9)13/h3-4H2,1-2H3,(H2,10,11,12,13,14)/t8-/m1/s1
InChIKeyWUBFJNCBEOHRPB-MRVPVSSYSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds1

About (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione

(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 129452353) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID129452353
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC[C@]1(C)CC12C(=O)NC(=O)NC2=O
InChIInChI=1S/C9H12N2O3/c1-3-8(2)4-9(8)5(12)10-7(14)11-6(9)13/h3-4H2,1-2H3,(H2,10,11,12,13,14)/t8-/m1/s1
InChIKeyWUBFJNCBEOHRPB-MRVPVSSYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
CID 141323079
5-ethyl-5-(1-methylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione
CID 18408715
5-ethyl-5-hydroxyimidazolidine-2,4-dione
CID 15593848
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 19911803
N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731050
CID 24892869
CID 24892869
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 3050733
1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 129452353) is (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione is CC[C@]1(C)CC12C(=O)NC(=O)NC2=O.
What is the InChIKey of (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is WUBFJNCBEOHRPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-8(2)4-9(8)5(12)10-7(14)11-6(9)13/h3-4H2,1-2H3,(H2,10,11,12,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione?
(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 196.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 129452353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).