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

C5H10N2O2 — CID 58880541

IUPAC2-ethyl-1,3,5-oxadiazinan-4-one
SMILESCCC1NC(=O)NCO1
InChIInChI=1S/C5H10N2O2/c1-2-4-7-5(8)6-3-9-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyVPDQHZVDSVYWJR-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.01
Rot. Bonds1

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

2-ethyl-1,3,5-oxadiazinan-4-one (PubChem CID 58880541) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-ethyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name2-ethyl-1,3,5-oxadiazinan-4-one
PubChem CID58880541
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-ethyl-1,3,5-oxadiazinan-4-one
SMILESCCC1NC(=O)NCO1
InChIInChI=1S/C5H10N2O2/c1-2-4-7-5(8)6-3-9-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyVPDQHZVDSVYWJR-UHFFFAOYSA-N
XLogP0.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 2-ethyl-1,3,5-oxadiazinan-4-one (CID 58880541) is 2-ethyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 2-ethyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 2-ethyl-1,3,5-oxadiazinan-4-one is CCC1NC(=O)NCO1.
What is the InChIKey of 2-ethyl-1,3,5-oxadiazinan-4-one?
The InChIKey is VPDQHZVDSVYWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-4-7-5(8)6-3-9-4/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 2-ethyl-1,3,5-oxadiazinan-4-one?
2-ethyl-1,3,5-oxadiazinan-4-one has a molecular weight of 130.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 58880541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).