3-methyl-2H-oxazine

C5H7NO — CID 23337448

IUPAC3-methyl-2H-oxazine
SMILESCC1=CC=CON1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2-4,6H,1H3
InChIKeySJOPUJCPGGXQKF-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-2H-oxazine

3-methyl-2H-oxazine (PubChem CID 23337448) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-methyl-2H-oxazine.

Molecular Properties

Compound Name3-methyl-2H-oxazine
PubChem CID23337448
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-methyl-2H-oxazine
SMILESCC1=CC=CON1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2-4,6H,1H3
InChIKeySJOPUJCPGGXQKF-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 3-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 3-methyl-2H-oxazine?
The IUPAC name of 3-methyl-2H-oxazine (CID 23337448) is 3-methyl-2H-oxazine.
What is the SMILES notation for 3-methyl-2H-oxazine?
The canonical SMILES for 3-methyl-2H-oxazine is CC1=CC=CON1.
What is the InChIKey of 3-methyl-2H-oxazine?
The InChIKey is SJOPUJCPGGXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2-4,6H,1H3.
What are the key properties of 3-methyl-2H-oxazine?
3-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 3-methyl-2H-oxazine is sourced from PubChem (CID 23337448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).