2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one

C12H11NO2 — CID 132519834

IUPAC2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(C)n2)c1
InChIInChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)11-7-12(14)15-9(2)13-11/h3-7H,1-2H3
InChIKeyPCWZLEMWIRGDOW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.32
Rot. Bonds1

About 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one

2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one (PubChem CID 132519834) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one
PubChem CID132519834
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(C)n2)c1
InChIInChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)11-7-12(14)15-9(2)13-11/h3-7H,1-2H3
InChIKeyPCWZLEMWIRGDOW-UHFFFAOYSA-N
XLogP2.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one (CID 132519834) is 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one is Cc1cccc(-c2cc(=O)oc(C)n2)c1.
What is the InChIKey of 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one?
The InChIKey is PCWZLEMWIRGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)11-7-12(14)15-9(2)13-11/h3-7H,1-2H3.
What are the key properties of 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one?
2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one has a molecular weight of 201.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 132519834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).