2-(4-methylphenyl)-1,3-oxazinane

C11H15NO — CID 583813

IUPAC2-(4-methylphenyl)-1,3-oxazinane
SMILESCc1ccc(C2NCCCO2)cc1
InChIInChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyKVGWOWHXYIRJNY-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.00
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-oxazinane

2-(4-methylphenyl)-1,3-oxazinane (PubChem CID 583813) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-oxazinane
PubChem CID583813
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(4-methylphenyl)-1,3-oxazinane
SMILESCc1ccc(C2NCCCO2)cc1
InChIInChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyKVGWOWHXYIRJNY-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-oxazinane?
The IUPAC name of 2-(4-methylphenyl)-1,3-oxazinane (CID 583813) is 2-(4-methylphenyl)-1,3-oxazinane.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-oxazinane?
The canonical SMILES for 2-(4-methylphenyl)-1,3-oxazinane is Cc1ccc(C2NCCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-oxazinane?
The InChIKey is KVGWOWHXYIRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-oxazinane?
2-(4-methylphenyl)-1,3-oxazinane has a molecular weight of 177.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-oxazinane is sourced from PubChem (CID 583813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).