1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C13H20N2O4 — CID 112599321

IUPAC1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H20N2O4/c1-7(2)10-11(16)14-13(18)15(12(10)17)8(3)9-5-4-6-19-9/h7-10H,4-6H2,1-3H3,(H,14,16,18)
InChIKeyJIFGEUNFBATVOJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.90
Rot. Bonds3

About 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112599321) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID112599321
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H20N2O4/c1-7(2)10-11(16)14-13(18)15(12(10)17)8(3)9-5-4-6-19-9/h7-10H,4-6H2,1-3H3,(H,14,16,18)
InChIKeyJIFGEUNFBATVOJ-UHFFFAOYSA-N
XLogP0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
CID 83243781
3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64960448
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557
5-methyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244374
3-[1-(oxolan-2-yl)ethyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83244533
1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599235
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387
2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 83243306
2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244288
4-[1-(oxolan-2-yl)ethyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896144
5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243866
1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600366

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 112599321) is 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(C(C)C2CCCO2)C1=O.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is JIFGEUNFBATVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-7(2)10-11(16)14-13(18)15(12(10)17)8(3)9-5-4-6-19-9/h7-10H,4-6H2,1-3H3,(H,14,16,18).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 268.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).