5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one

C6H12N2O2 — CID 58880536

IUPAC5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one
SMILESCCN1COC(C)NC1=O
InChIInChI=1S/C6H12N2O2/c1-3-8-4-10-5(2)7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyJTXLYDOVANGLHD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.35
Rot. Bonds1

About 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one

5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one (PubChem CID 58880536) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one
PubChem CID58880536
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one
SMILESCCN1COC(C)NC1=O
InChIInChI=1S/C6H12N2O2/c1-3-8-4-10-5(2)7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyJTXLYDOVANGLHD-UHFFFAOYSA-N
XLogP0.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one (CID 58880536) is 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one is CCN1COC(C)NC1=O.
What is the InChIKey of 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one?
The InChIKey is JTXLYDOVANGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-8-4-10-5(2)7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one?
5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one has a molecular weight of 144.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 58880536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).