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

C5H10N2O2 — CID 58880533

IUPAC3-ethyl-1,3,5-oxadiazinan-4-one
SMILESCCN1COCNC1=O
InChIInChI=1S/C5H10N2O2/c1-2-7-4-9-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyNUBSHJVDSJEZTG-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.04
Rot. Bonds1

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

3-ethyl-1,3,5-oxadiazinan-4-one (PubChem CID 58880533) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-ethyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-ethyl-1,3,5-oxadiazinan-4-one
PubChem CID58880533
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-ethyl-1,3,5-oxadiazinan-4-one
SMILESCCN1COCNC1=O
InChIInChI=1S/C5H10N2O2/c1-2-7-4-9-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyNUBSHJVDSJEZTG-UHFFFAOYSA-N
XLogP-0.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-ethyl-1,3,5-oxadiazinan-4-one (CID 58880533) is 3-ethyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-ethyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-ethyl-1,3,5-oxadiazinan-4-one is CCN1COCNC1=O.
What is the InChIKey of 3-ethyl-1,3,5-oxadiazinan-4-one?
The InChIKey is NUBSHJVDSJEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-7-4-9-3-6-5(7)8/h2-4H2,1H3,(H,6,8).
What are the key properties of 3-ethyl-1,3,5-oxadiazinan-4-one?
3-ethyl-1,3,5-oxadiazinan-4-one has a molecular weight of 130.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 58880533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).