2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one

C6H12N2O2 — CID 58880542

IUPAC2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one
SMILESCCC1NC(=O)NC(C)O1
InChIInChI=1S/C6H12N2O2/c1-3-5-8-6(9)7-4(2)10-5/h4-5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyADTRUZFKCUAUNS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds1

About 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one

2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one (PubChem CID 58880542) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one
PubChem CID58880542
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one
SMILESCCC1NC(=O)NC(C)O1
InChIInChI=1S/C6H12N2O2/c1-3-5-8-6(9)7-4(2)10-5/h4-5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyADTRUZFKCUAUNS-UHFFFAOYSA-N
XLogP0.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one (CID 58880542) is 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one is CCC1NC(=O)NC(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one?
The InChIKey is ADTRUZFKCUAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5-8-6(9)7-4(2)10-5/h4-5H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one?
2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one has a molecular weight of 144.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 58880542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).