3,6-dimethyl-6H-oxazine

C6H9NO — CID 143896192

IUPAC3,6-dimethyl-6H-oxazine
SMILESCC1=NOC(C)C=C1
InChIInChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3
InChIKeyYRABNWRRAMEJDU-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.34
Rot. Bonds

About 3,6-dimethyl-6H-oxazine

3,6-dimethyl-6H-oxazine (PubChem CID 143896192) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3,6-dimethyl-6H-oxazine.

Molecular Properties

Compound Name3,6-dimethyl-6H-oxazine
PubChem CID143896192
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3,6-dimethyl-6H-oxazine
SMILESCC1=NOC(C)C=C1
InChIInChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3
InChIKeyYRABNWRRAMEJDU-UHFFFAOYSA-N
XLogP1.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-6H-oxazine 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 3,6-dimethyl-6H-oxazine?
The IUPAC name of 3,6-dimethyl-6H-oxazine (CID 143896192) is 3,6-dimethyl-6H-oxazine.
What is the SMILES notation for 3,6-dimethyl-6H-oxazine?
The canonical SMILES for 3,6-dimethyl-6H-oxazine is CC1=NOC(C)C=C1.
What is the InChIKey of 3,6-dimethyl-6H-oxazine?
The InChIKey is YRABNWRRAMEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3.
What are the key properties of 3,6-dimethyl-6H-oxazine?
3,6-dimethyl-6H-oxazine has a molecular weight of 111.14 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6H-oxazine is sourced from PubChem (CID 143896192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).