3,6,6-trimethyl-1,3-oxazinane-2,4-dione

C7H11NO3 — CID 143011935

IUPAC3,6,6-trimethyl-1,3-oxazinane-2,4-dione
SMILESCN1C(=O)CC(C)(C)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2)4-5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKeyTUROMJUESTXRGJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds

About 3,6,6-trimethyl-1,3-oxazinane-2,4-dione

3,6,6-trimethyl-1,3-oxazinane-2,4-dione (PubChem CID 143011935) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-1,3-oxazinane-2,4-dione
PubChem CID143011935
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3,6,6-trimethyl-1,3-oxazinane-2,4-dione
SMILESCN1C(=O)CC(C)(C)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2)4-5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKeyTUROMJUESTXRGJ-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
CID 89228585
3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
CID 140541883
methane;3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
CID 157467246
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
3-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105434715
5,5-dimethyl-3-oxo-1,2-oxazolidine-2-carboxamide
CID 135318115
ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 177197066
2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
CID 145461138
5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane
CID 145346237
4,4,5,5-tetramethyloxolan-2-one
CID 547832
5-hydroxy-3,5-dimethyl-1,3-oxazolidin-2-one
CID 166457859
2,2,5,6-tetramethyl-3H-1-benzofuran-4,7-dione
CID 10954716

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3,6,6-trimethyl-1,3-oxazinane-2,4-dione (CID 143011935) is 3,6,6-trimethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3,6,6-trimethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3,6,6-trimethyl-1,3-oxazinane-2,4-dione is CN1C(=O)CC(C)(C)OC1=O.
What is the InChIKey of 3,6,6-trimethyl-1,3-oxazinane-2,4-dione?
The InChIKey is TUROMJUESTXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)4-5(9)8(3)6(10)11-7/h4H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1,3-oxazinane-2,4-dione?
3,6,6-trimethyl-1,3-oxazinane-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 143011935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).