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

C6H9NO3 — CID 89380588

IUPAC3-ethyl-1,3-oxazinane-2,4-dione
SMILESCCN1C(=O)CCOC1=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-4-10-6(7)9/h2-4H2,1H3
InChIKeyQFLVYNSHVVWBDG-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.38
Rot. Bonds1

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

3-ethyl-1,3-oxazinane-2,4-dione (PubChem CID 89380588) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-ethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1,3-oxazinane-2,4-dione
PubChem CID89380588
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-ethyl-1,3-oxazinane-2,4-dione
SMILESCCN1C(=O)CCOC1=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-4-10-6(7)9/h2-4H2,1H3
InChIKeyQFLVYNSHVVWBDG-UHFFFAOYSA-N
XLogP0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1,3-oxazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-ethyl-1,3-oxazinane-2,4-dione (CID 89380588) is 3-ethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-ethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-ethyl-1,3-oxazinane-2,4-dione is CCN1C(=O)CCOC1=O.
What is the InChIKey of 3-ethyl-1,3-oxazinane-2,4-dione?
The InChIKey is QFLVYNSHVVWBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-10-6(7)9/h2-4H2,1H3.
What are the key properties of 3-ethyl-1,3-oxazinane-2,4-dione?
3-ethyl-1,3-oxazinane-2,4-dione has a molecular weight of 143.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 89380588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).