5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione

C15H24N2O3 — CID 104830815

IUPAC5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(N1C(=O)NC(=O)C(C2CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-9(15(2,3)4)17-13(19)11(10-7-5-6-8-10)12(18)16-14(17)20/h9-11H,5-8H2,1-4H3,(H,16,18,20)
InChIKeyFWWLAZNTRXGJJB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.31
Rot. Bonds2

About 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 104830815) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID104830815
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(N1C(=O)NC(=O)C(C2CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-9(15(2,3)4)17-13(19)11(10-7-5-6-8-10)12(18)16-14(17)20/h9-11H,5-8H2,1-4H3,(H,16,18,20)
InChIKeyFWWLAZNTRXGJJB-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

2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide
CID 115947718
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 104963571
5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 104830783
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 115945625
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione (CID 104830815) is 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione is CC(N1C(=O)NC(=O)C(C2CCCC2)C1=O)C(C)(C)C.
What is the InChIKey of 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FWWLAZNTRXGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(15(2,3)4)17-13(19)11(10-7-5-6-8-10)12(18)16-14(17)20/h9-11H,5-8H2,1-4H3,(H,16,18,20).
What are the key properties of 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-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 5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 104830815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).