6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one

C10H11ClN2O2 — CID 105484171

IUPAC6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one
SMILESCN1CC(c2ccc(Cl)cc2)OC(=O)N1
InChIInChI=1S/C10H11ClN2O2/c1-13-6-9(15-10(14)12-13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyIVKOXROQIVAICU-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.97
Rot. Bonds1

About 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one

6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one (PubChem CID 105484171) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one
PubChem CID105484171
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one
SMILESCN1CC(c2ccc(Cl)cc2)OC(=O)N1
InChIInChI=1S/C10H11ClN2O2/c1-13-6-9(15-10(14)12-13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyIVKOXROQIVAICU-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one (CID 105484171) is 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one is CN1CC(c2ccc(Cl)cc2)OC(=O)N1.
What is the InChIKey of 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one?
The InChIKey is IVKOXROQIVAICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-13-6-9(15-10(14)12-13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,14).
What are the key properties of 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one?
6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one is sourced from PubChem (CID 105484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).