5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione

C14H20N2O4 — CID 115947978

IUPAC5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(CC2CCOC2)C(=O)C1C1CCCC1
InChIInChI=1S/C14H20N2O4/c17-12-11(10-3-1-2-4-10)13(18)16(14(19)15-12)7-9-5-6-20-8-9/h9-11H,1-8H2,(H,15,17,19)
InChIKeyQWZWCGTVBDKPRX-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.91
Rot. Bonds3

About 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115947978) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID115947978
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(CC2CCOC2)C(=O)C1C1CCCC1
InChIInChI=1S/C14H20N2O4/c17-12-11(10-3-1-2-4-10)13(18)16(14(19)15-12)7-9-5-6-20-8-9/h9-11H,1-8H2,(H,15,17,19)
InChIKeyQWZWCGTVBDKPRX-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882664
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
5-butan-2-yl-2-cyclopentyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83252729
8-cyclopropyl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887356
3-ethyl-1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910648
1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one
CID 130614201
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948147
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 115947978) is 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(CC2CCOC2)C(=O)C1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QWZWCGTVBDKPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12-11(10-3-1-2-4-10)13(18)16(14(19)15-12)7-9-5-6-20-8-9/h9-11H,1-8H2,(H,15,17,19).
What are the key properties of 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 280.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).