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

C11H9NO2 — CID 67645740

IUPAC2-(2-methylphenyl)-1,3-oxazin-4-one
SMILESCc1ccccc1-c1nc(=O)cco1
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)11-12-10(13)6-7-14-11/h2-7H,1H3
InChIKeyINCBEIVQPOWOGO-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.01
Rot. Bonds1

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

2-(2-methylphenyl)-1,3-oxazin-4-one (PubChem CID 67645740) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-oxazin-4-one
PubChem CID67645740
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-(2-methylphenyl)-1,3-oxazin-4-one
SMILESCc1ccccc1-c1nc(=O)cco1
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)11-12-10(13)6-7-14-11/h2-7H,1H3
InChIKeyINCBEIVQPOWOGO-UHFFFAOYSA-N
XLogP2.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-oxazin-4-one?
The IUPAC name of 2-(2-methylphenyl)-1,3-oxazin-4-one (CID 67645740) is 2-(2-methylphenyl)-1,3-oxazin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-oxazin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-1,3-oxazin-4-one is Cc1ccccc1-c1nc(=O)cco1.
What is the InChIKey of 2-(2-methylphenyl)-1,3-oxazin-4-one?
The InChIKey is INCBEIVQPOWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)11-12-10(13)6-7-14-11/h2-7H,1H3.
What are the key properties of 2-(2-methylphenyl)-1,3-oxazin-4-one?
2-(2-methylphenyl)-1,3-oxazin-4-one has a molecular weight of 187.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-oxazin-4-one is sourced from PubChem (CID 67645740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).