5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione

C13H15NO3 — CID 56688466

IUPAC5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
SMILESCc1ccccc1N1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C13H15NO3/c1-9-6-4-5-7-10(9)14-11(15)13(2,3)8-17-12(14)16/h4-7H,8H2,1-3H3
InChIKeyLXLVCLWNTXSTMF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.50
Rot. Bonds1

About 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione

5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione (PubChem CID 56688466) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
PubChem CID56688466
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
SMILESCc1ccccc1N1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C13H15NO3/c1-9-6-4-5-7-10(9)14-11(15)13(2,3)8-17-12(14)16/h4-7H,8H2,1-3H3
InChIKeyLXLVCLWNTXSTMF-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione (CID 56688466) is 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione is Cc1ccccc1N1C(=O)OCC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione?
The InChIKey is LXLVCLWNTXSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-6-4-5-7-10(9)14-11(15)13(2,3)8-17-12(14)16/h4-7H,8H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione?
5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 56688466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).