4-ethoxy-6-methyl-1,3-diazinan-2-one

C7H14N2O2 — CID 71420984

IUPAC4-ethoxy-6-methyl-1,3-diazinan-2-one
SMILESCCOC1CC(C)NC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-3-11-6-4-5(2)8-7(10)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeySKZBOMBKPSFPTI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.44
Rot. Bonds2

About 4-ethoxy-6-methyl-1,3-diazinan-2-one

4-ethoxy-6-methyl-1,3-diazinan-2-one (PubChem CID 71420984) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-ethoxy-6-methyl-1,3-diazinan-2-one
PubChem CID71420984
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-ethoxy-6-methyl-1,3-diazinan-2-one
SMILESCCOC1CC(C)NC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-3-11-6-4-5(2)8-7(10)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeySKZBOMBKPSFPTI-UHFFFAOYSA-N
XLogP0.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-1,3-diazinan-2-one?
The IUPAC name of 4-ethoxy-6-methyl-1,3-diazinan-2-one (CID 71420984) is 4-ethoxy-6-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-ethoxy-6-methyl-1,3-diazinan-2-one?
The canonical SMILES for 4-ethoxy-6-methyl-1,3-diazinan-2-one is CCOC1CC(C)NC(=O)N1.
What is the InChIKey of 4-ethoxy-6-methyl-1,3-diazinan-2-one?
The InChIKey is SKZBOMBKPSFPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-11-6-4-5(2)8-7(10)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 4-ethoxy-6-methyl-1,3-diazinan-2-one?
4-ethoxy-6-methyl-1,3-diazinan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 71420984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).