5-ethyl-1,3-oxazinane-2,4-dione

C6H9NO3 — CID 91602644

IUPAC5-ethyl-1,3-oxazinane-2,4-dione
SMILESCCC1COC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-2-4-3-10-6(9)7-5(4)8/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyLZTSKGAFRYGRPP-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.28
Rot. Bonds1

About 5-ethyl-1,3-oxazinane-2,4-dione

5-ethyl-1,3-oxazinane-2,4-dione (PubChem CID 91602644) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-ethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1,3-oxazinane-2,4-dione
PubChem CID91602644
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5-ethyl-1,3-oxazinane-2,4-dione
SMILESCCC1COC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-2-4-3-10-6(9)7-5(4)8/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyLZTSKGAFRYGRPP-UHFFFAOYSA-N
XLogP0.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 5-ethyl-1,3-oxazinane-2,4-dione (CID 91602644) is 5-ethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5-ethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5-ethyl-1,3-oxazinane-2,4-dione is CCC1COC(=O)NC1=O.
What is the InChIKey of 5-ethyl-1,3-oxazinane-2,4-dione?
The InChIKey is LZTSKGAFRYGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-4-3-10-6(9)7-5(4)8/h4H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 5-ethyl-1,3-oxazinane-2,4-dione?
5-ethyl-1,3-oxazinane-2,4-dione has a molecular weight of 143.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 91602644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).