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

C5H10N2O2 — CID 76677924

IUPAC4-methoxy-1,3-diazinan-2-one
SMILESCOC1CCNC(=O)N1
InChIInChI=1S/C5H10N2O2/c1-9-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyFZOMTNYSILSDMH-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.34
Rot. Bonds1

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

4-methoxy-1,3-diazinan-2-one (PubChem CID 76677924) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4-methoxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methoxy-1,3-diazinan-2-one
PubChem CID76677924
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name4-methoxy-1,3-diazinan-2-one
SMILESCOC1CCNC(=O)N1
InChIInChI=1S/C5H10N2O2/c1-9-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyFZOMTNYSILSDMH-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-diazinan-2-one?
The IUPAC name of 4-methoxy-1,3-diazinan-2-one (CID 76677924) is 4-methoxy-1,3-diazinan-2-one.
What is the SMILES notation for 4-methoxy-1,3-diazinan-2-one?
The canonical SMILES for 4-methoxy-1,3-diazinan-2-one is COC1CCNC(=O)N1.
What is the InChIKey of 4-methoxy-1,3-diazinan-2-one?
The InChIKey is FZOMTNYSILSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-9-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 4-methoxy-1,3-diazinan-2-one?
4-methoxy-1,3-diazinan-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-diazinan-2-one is sourced from PubChem (CID 76677924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).