3-methyl-1,3-oxazinan-2-one;toluene

C12H17NO2 — CID 161105180

IUPAC3-methyl-1,3-oxazinan-2-one;toluene
SMILESCN1CCCOC1=O.Cc1ccccc1
InChIInChI=1S/C7H8.C5H9NO2/c1-7-5-3-2-4-6-7;1-6-3-2-4-8-5(6)7/h2-6H,1H3;2-4H2,1H3
InChIKeyUIYNZIMVMUASGU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.45
Rot. Bonds

About 3-methyl-1,3-oxazinan-2-one;toluene

3-methyl-1,3-oxazinan-2-one;toluene (PubChem CID 161105180) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methyl-1,3-oxazinan-2-one;toluene.

Molecular Properties

Compound Name3-methyl-1,3-oxazinan-2-one;toluene
PubChem CID161105180
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methyl-1,3-oxazinan-2-one;toluene
SMILESCN1CCCOC1=O.Cc1ccccc1
InChIInChI=1S/C7H8.C5H9NO2/c1-7-5-3-2-4-6-7;1-6-3-2-4-8-5(6)7/h2-6H,1H3;2-4H2,1H3
InChIKeyUIYNZIMVMUASGU-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazinan-2-one;toluene?
The IUPAC name of 3-methyl-1,3-oxazinan-2-one;toluene (CID 161105180) is 3-methyl-1,3-oxazinan-2-one;toluene.
What is the SMILES notation for 3-methyl-1,3-oxazinan-2-one;toluene?
The canonical SMILES for 3-methyl-1,3-oxazinan-2-one;toluene is CN1CCCOC1=O.Cc1ccccc1.
What is the InChIKey of 3-methyl-1,3-oxazinan-2-one;toluene?
The InChIKey is UIYNZIMVMUASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H9NO2/c1-7-5-3-2-4-6-7;1-6-3-2-4-8-5(6)7/h2-6H,1H3;2-4H2,1H3.
What are the key properties of 3-methyl-1,3-oxazinan-2-one;toluene?
3-methyl-1,3-oxazinan-2-one;toluene has a molecular weight of 207.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazinan-2-one;toluene is sourced from PubChem (CID 161105180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).