(2-oxo-1,3-diazinan-1-yl) acetate

C6H10N2O3 — CID 122591653

IUPAC(2-oxo-1,3-diazinan-1-yl) acetate
SMILESCC(=O)ON1CCCNC1=O
InChIInChI=1S/C6H10N2O3/c1-5(9)11-8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyOMEATXCGYPSHQF-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.12
Rot. Bonds1

About (2-oxo-1,3-diazinan-1-yl) acetate

(2-oxo-1,3-diazinan-1-yl) acetate (PubChem CID 122591653) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2-oxo-1,3-diazinan-1-yl) acetate.

Molecular Properties

Compound Name(2-oxo-1,3-diazinan-1-yl) acetate
PubChem CID122591653
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2-oxo-1,3-diazinan-1-yl) acetate
SMILESCC(=O)ON1CCCNC1=O
InChIInChI=1S/C6H10N2O3/c1-5(9)11-8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyOMEATXCGYPSHQF-UHFFFAOYSA-N
XLogP-0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-diazinan-1-yl) acetate?
The IUPAC name of (2-oxo-1,3-diazinan-1-yl) acetate (CID 122591653) is (2-oxo-1,3-diazinan-1-yl) acetate.
What is the SMILES notation for (2-oxo-1,3-diazinan-1-yl) acetate?
The canonical SMILES for (2-oxo-1,3-diazinan-1-yl) acetate is CC(=O)ON1CCCNC1=O.
What is the InChIKey of (2-oxo-1,3-diazinan-1-yl) acetate?
The InChIKey is OMEATXCGYPSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-5(9)11-8-4-2-3-7-6(8)10/h2-4H2,1H3,(H,7,10).
What are the key properties of (2-oxo-1,3-diazinan-1-yl) acetate?
(2-oxo-1,3-diazinan-1-yl) acetate has a molecular weight of 158.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-diazinan-1-yl) acetate is sourced from PubChem (CID 122591653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).