3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one

C6H12N2O4 — CID 23262911

IUPAC3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one
SMILESCOCN1COCN(CO)C1=O
InChIInChI=1S/C6H12N2O4/c1-11-3-8-5-12-4-7(2-9)6(8)10/h9H,2-5H2,1H3
InChIKeyVGXNBPIOIBSUMT-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.79
Rot. Bonds3

About 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one

3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one (PubChem CID 23262911) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one
PubChem CID23262911
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one
SMILESCOCN1COCN(CO)C1=O
InChIInChI=1S/C6H12N2O4/c1-11-3-8-5-12-4-7(2-9)6(8)10/h9H,2-5H2,1H3
InChIKeyVGXNBPIOIBSUMT-UHFFFAOYSA-N
XLogP-0.79
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one (CID 23262911) is 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one is COCN1COCN(CO)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one?
The InChIKey is VGXNBPIOIBSUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-11-3-8-5-12-4-7(2-9)6(8)10/h9H,2-5H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one?
3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one has a molecular weight of 176.17 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 23262911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).