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

C6H12N2O2 — CID 78207115

IUPAC4-ethoxy-1,3-diazinan-2-one
SMILESCCOC1CCNC(=O)N1
InChIInChI=1S/C6H12N2O2/c1-2-10-5-3-4-7-6(9)8-5/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyFJYRZLPEMNOTSH-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.05
Rot. Bonds2

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

4-ethoxy-1,3-diazinan-2-one (PubChem CID 78207115) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-ethoxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-ethoxy-1,3-diazinan-2-one
PubChem CID78207115
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-ethoxy-1,3-diazinan-2-one
SMILESCCOC1CCNC(=O)N1
InChIInChI=1S/C6H12N2O2/c1-2-10-5-3-4-7-6(9)8-5/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyFJYRZLPEMNOTSH-UHFFFAOYSA-N
XLogP0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,3-diazinan-2-one?
The IUPAC name of 4-ethoxy-1,3-diazinan-2-one (CID 78207115) is 4-ethoxy-1,3-diazinan-2-one.
What is the SMILES notation for 4-ethoxy-1,3-diazinan-2-one?
The canonical SMILES for 4-ethoxy-1,3-diazinan-2-one is CCOC1CCNC(=O)N1.
What is the InChIKey of 4-ethoxy-1,3-diazinan-2-one?
The InChIKey is FJYRZLPEMNOTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-10-5-3-4-7-6(9)8-5/h5H,2-4H2,1H3,(H2,7,8,9).
What are the key properties of 4-ethoxy-1,3-diazinan-2-one?
4-ethoxy-1,3-diazinan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,3-diazinan-2-one is sourced from PubChem (CID 78207115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).