2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one

C8H13NO2 — CID 14065111

IUPAC2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one
SMILESCC1=NC(C)(C)C(C)OC1=O
InChIInChI=1S/C8H13NO2/c1-5-7(10)11-6(2)8(3,4)9-5/h6H,1-4H3
InChIKeyQQYACVGEJZOCIH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.17
Rot. Bonds

About 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one

2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one (PubChem CID 14065111) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one
PubChem CID14065111
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one
SMILESCC1=NC(C)(C)C(C)OC1=O
InChIInChI=1S/C8H13NO2/c1-5-7(10)11-6(2)8(3,4)9-5/h6H,1-4H3
InChIKeyQQYACVGEJZOCIH-UHFFFAOYSA-N
XLogP1.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one 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 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one?
The IUPAC name of 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one (CID 14065111) is 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one.
What is the SMILES notation for 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one?
The canonical SMILES for 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one is CC1=NC(C)(C)C(C)OC1=O.
What is the InChIKey of 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one?
The InChIKey is QQYACVGEJZOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-7(10)11-6(2)8(3,4)9-5/h6H,1-4H3.
What are the key properties of 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one?
2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one has a molecular weight of 155.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 14065111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).