5-methoxy-1,3-diazinane-2,4-dione

C5H8N2O3 — CID 71650995

IUPAC5-methoxy-1,3-diazinane-2,4-dione
SMILESCOC1CNC(=O)NC1=O
InChIInChI=1S/C5H8N2O3/c1-10-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyLIHLEUSPWFXEDO-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.16
Rot. Bonds1

About 5-methoxy-1,3-diazinane-2,4-dione

5-methoxy-1,3-diazinane-2,4-dione (PubChem CID 71650995) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-methoxy-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1,3-diazinane-2,4-dione
PubChem CID71650995
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name5-methoxy-1,3-diazinane-2,4-dione
SMILESCOC1CNC(=O)NC1=O
InChIInChI=1S/C5H8N2O3/c1-10-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyLIHLEUSPWFXEDO-UHFFFAOYSA-N
XLogP-1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methoxy-1,3-diazinane-2,4-dione (CID 71650995) is 5-methoxy-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methoxy-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methoxy-1,3-diazinane-2,4-dione is COC1CNC(=O)NC1=O.
What is the InChIKey of 5-methoxy-1,3-diazinane-2,4-dione?
The InChIKey is LIHLEUSPWFXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-10-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 5-methoxy-1,3-diazinane-2,4-dione?
5-methoxy-1,3-diazinane-2,4-dione has a molecular weight of 144.13 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-diazinane-2,4-dione is sourced from PubChem (CID 71650995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).