7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione

C11H9NO4 — CID 59492146

IUPAC7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione
SMILESCC(=O)c1ccc2c(=O)oc(=O)n(C)c2c1
InChIInChI=1S/C11H9NO4/c1-6(13)7-3-4-8-9(5-7)12(2)11(15)16-10(8)14/h3-5H,1-2H3
InChIKeyYTVOVJRHHIVCPG-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.69
Rot. Bonds1

About 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione

7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione (PubChem CID 59492146) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione
PubChem CID59492146
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione
SMILESCC(=O)c1ccc2c(=O)oc(=O)n(C)c2c1
InChIInChI=1S/C11H9NO4/c1-6(13)7-3-4-8-9(5-7)12(2)11(15)16-10(8)14/h3-5H,1-2H3
InChIKeyYTVOVJRHHIVCPG-UHFFFAOYSA-N
XLogP0.69
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione (CID 59492146) is 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione is CC(=O)c1ccc2c(=O)oc(=O)n(C)c2c1.
What is the InChIKey of 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione?
The InChIKey is YTVOVJRHHIVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6(13)7-3-4-8-9(5-7)12(2)11(15)16-10(8)14/h3-5H,1-2H3.
What are the key properties of 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione?
7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 59492146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).