4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione

C11H12N2O3 — CID 154184841

IUPAC4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione
SMILESCc1cccc(N2OCC(=O)N(C)C2=O)c1
InChIInChI=1S/C11H12N2O3/c1-8-4-3-5-9(6-8)13-11(15)12(2)10(14)7-16-13/h3-6H,7H2,1-2H3
InChIKeyXNQKASBOWZUWLA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.33
Rot. Bonds1

About 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione

4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione (PubChem CID 154184841) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione
PubChem CID154184841
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione
SMILESCc1cccc(N2OCC(=O)N(C)C2=O)c1
InChIInChI=1S/C11H12N2O3/c1-8-4-3-5-9(6-8)13-11(15)12(2)10(14)7-16-13/h3-6H,7H2,1-2H3
InChIKeyXNQKASBOWZUWLA-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
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4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one
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CID 141465001
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CID 13027273
5-hydroxy-1-(3-methylphenyl)piperidin-2-one
CID 117013897
6-(aminomethyl)-6-methyl-4-(3-methylphenyl)morpholin-3-one
CID 115068016
(4R,8R)-4,8-dimethyl-6-(3-methylphenyl)-1,3,6-dioxazocan-2-one
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2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one
CID 155673538
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 13005196
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CID 79266137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione (CID 154184841) is 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione is Cc1cccc(N2OCC(=O)N(C)C2=O)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione?
The InChIKey is XNQKASBOWZUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8-4-3-5-9(6-8)13-11(15)12(2)10(14)7-16-13/h3-6H,7H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione?
4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione has a molecular weight of 220.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione is sourced from PubChem (CID 154184841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).