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

C5H10N2O3 — CID 20648431

IUPAC3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
SMILESCN1COCN(CO)C1=O
InChIInChI=1S/C5H10N2O3/c1-6-3-10-4-7(2-8)5(6)9/h8H,2-4H2,1H3
InChIKeyBCTMCULHHQGXGS-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.76
Rot. Bonds1

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

3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one (PubChem CID 20648431) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
PubChem CID20648431
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
SMILESCN1COCN(CO)C1=O
InChIInChI=1S/C5H10N2O3/c1-6-3-10-4-7(2-8)5(6)9/h8H,2-4H2,1H3
InChIKeyBCTMCULHHQGXGS-UHFFFAOYSA-N
XLogP-0.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one (CID 20648431) is 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one is CN1COCN(CO)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one?
The InChIKey is BCTMCULHHQGXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-6-3-10-4-7(2-8)5(6)9/h8H,2-4H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one?
3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one has a molecular weight of 146.15 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 20648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).