3-(2-methylphenyl)-2H-oxazine

C11H11NO — CID 155490180

IUPAC3-(2-methylphenyl)-2H-oxazine
SMILESCc1ccccc1C1=CC=CON1
InChIInChI=1S/C11H11NO/c1-9-5-2-3-6-10(9)11-7-4-8-13-12-11/h2-8,12H,1H3
InChIKeyNMMUCLVOKSJUJN-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.38
Rot. Bonds1

About 3-(2-methylphenyl)-2H-oxazine

3-(2-methylphenyl)-2H-oxazine (PubChem CID 155490180) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2H-oxazine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2H-oxazine
PubChem CID155490180
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(2-methylphenyl)-2H-oxazine
SMILESCc1ccccc1C1=CC=CON1
InChIInChI=1S/C11H11NO/c1-9-5-2-3-6-10(9)11-7-4-8-13-12-11/h2-8,12H,1H3
InChIKeyNMMUCLVOKSJUJN-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2H-oxazine?
The IUPAC name of 3-(2-methylphenyl)-2H-oxazine (CID 155490180) is 3-(2-methylphenyl)-2H-oxazine.
What is the SMILES notation for 3-(2-methylphenyl)-2H-oxazine?
The canonical SMILES for 3-(2-methylphenyl)-2H-oxazine is Cc1ccccc1C1=CC=CON1.
What is the InChIKey of 3-(2-methylphenyl)-2H-oxazine?
The InChIKey is NMMUCLVOKSJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-5-2-3-6-10(9)11-7-4-8-13-12-11/h2-8,12H,1H3.
What are the key properties of 3-(2-methylphenyl)-2H-oxazine?
3-(2-methylphenyl)-2H-oxazine has a molecular weight of 173.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2H-oxazine is sourced from PubChem (CID 155490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).