1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C11H16N2O4 — CID 114120625

IUPAC1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOC1CC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C11H16N2O4/c1-11(2)8(14)12-10(16)13(9(11)15)6-4-7(5-6)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16)
InChIKeyOWCWFLPUVNEORC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.27
Rot. Bonds2

About 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 114120625) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID114120625
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOC1CC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C11H16N2O4/c1-11(2)8(14)12-10(16)13(9(11)15)6-4-7(5-6)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16)
InChIKeyOWCWFLPUVNEORC-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 114120625) is 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is COC1CC(N2C(=O)NC(=O)C(C)(C)C2=O)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OWCWFLPUVNEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2)8(14)12-10(16)13(9(11)15)6-4-7(5-6)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16).
What are the key properties of 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 240.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114120625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).