6-methyl-2H-oxazine

C5H7NO — CID 54197167

IUPAC6-methyl-2H-oxazine
SMILESCC1=CC=CNO1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-6-7-5/h2-4,6H,1H3
InChIKeyPMQKORQSBFNDJB-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.94
Rot. Bonds

About 6-methyl-2H-oxazine

6-methyl-2H-oxazine (PubChem CID 54197167) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 6-methyl-2H-oxazine.

Molecular Properties

Compound Name6-methyl-2H-oxazine
PubChem CID54197167
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name6-methyl-2H-oxazine
SMILESCC1=CC=CNO1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-6-7-5/h2-4,6H,1H3
InChIKeyPMQKORQSBFNDJB-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2H-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 6-methyl-2H-oxazine?
The IUPAC name of 6-methyl-2H-oxazine (CID 54197167) is 6-methyl-2H-oxazine.
What is the SMILES notation for 6-methyl-2H-oxazine?
The canonical SMILES for 6-methyl-2H-oxazine is CC1=CC=CNO1.
What is the InChIKey of 6-methyl-2H-oxazine?
The InChIKey is PMQKORQSBFNDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-3-2-4-6-7-5/h2-4,6H,1H3.
What are the key properties of 6-methyl-2H-oxazine?
6-methyl-2H-oxazine has a molecular weight of 97.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-oxazine is sourced from PubChem (CID 54197167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).