4,5-dimethyl-2,3-dihydro-1,4-oxazine

C6H11NO — CID 89492308

IUPAC4,5-dimethyl-2,3-dihydro-1,4-oxazine
SMILESCC1=COCCN1C
InChIInChI=1S/C6H11NO/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3
InChIKeyCWHUEIJJMRYCJA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1,4-oxazine

4,5-dimethyl-2,3-dihydro-1,4-oxazine (PubChem CID 89492308) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,4-oxazine
PubChem CID89492308
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4,5-dimethyl-2,3-dihydro-1,4-oxazine
SMILESCC1=COCCN1C
InChIInChI=1S/C6H11NO/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3
InChIKeyCWHUEIJJMRYCJA-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2,3-dihydro-1,4-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 4,5-dimethyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-oxazine (CID 89492308) is 4,5-dimethyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,4-oxazine is CC1=COCCN1C.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,4-oxazine?
The InChIKey is CWHUEIJJMRYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,4-oxazine?
4,5-dimethyl-2,3-dihydro-1,4-oxazine has a molecular weight of 113.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 89492308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).