3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione

C8H13NO3 — CID 89228585

IUPAC3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
SMILESCCN1C(=O)CC(C)(C)OC1=O
InChIInChI=1S/C8H13NO3/c1-4-9-6(10)5-8(2,3)12-7(9)11/h4-5H2,1-3H3
InChIKeyNVQRYGLIJPCGMD-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.15
Rot. Bonds1

About 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione

3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione (PubChem CID 89228585) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
PubChem CID89228585
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
SMILESCCN1C(=O)CC(C)(C)OC1=O
InChIInChI=1S/C8H13NO3/c1-4-9-6(10)5-8(2,3)12-7(9)11/h4-5H2,1-3H3
InChIKeyNVQRYGLIJPCGMD-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione (CID 89228585) is 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione is CCN1C(=O)CC(C)(C)OC1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione?
The InChIKey is NVQRYGLIJPCGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-9-6(10)5-8(2,3)12-7(9)11/h4-5H2,1-3H3.
What are the key properties of 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione?
3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 89228585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).