6-acetyl-1,4-benzodioxine-2-carboxamide

C11H9NO4 — CID 19392438

IUPAC6-acetyl-1,4-benzodioxine-2-carboxamide
SMILESCC(=O)c1ccc2c(c1)OC=C(C(N)=O)O2
InChIInChI=1S/C11H9NO4/c1-6(13)7-2-3-8-9(4-7)15-5-10(16-8)11(12)14/h2-5H,1H3,(H2,12,14)
InChIKeyXZHJYIGXBYFUPC-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.99
Rot. Bonds2

About 6-acetyl-1,4-benzodioxine-2-carboxamide

6-acetyl-1,4-benzodioxine-2-carboxamide (PubChem CID 19392438) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-acetyl-1,4-benzodioxine-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-1,4-benzodioxine-2-carboxamide
PubChem CID19392438
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name6-acetyl-1,4-benzodioxine-2-carboxamide
SMILESCC(=O)c1ccc2c(c1)OC=C(C(N)=O)O2
InChIInChI=1S/C11H9NO4/c1-6(13)7-2-3-8-9(4-7)15-5-10(16-8)11(12)14/h2-5H,1H3,(H2,12,14)
InChIKeyXZHJYIGXBYFUPC-UHFFFAOYSA-N
XLogP0.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,4-benzodioxine-2-carboxamide?
The IUPAC name of 6-acetyl-1,4-benzodioxine-2-carboxamide (CID 19392438) is 6-acetyl-1,4-benzodioxine-2-carboxamide.
What is the SMILES notation for 6-acetyl-1,4-benzodioxine-2-carboxamide?
The canonical SMILES for 6-acetyl-1,4-benzodioxine-2-carboxamide is CC(=O)c1ccc2c(c1)OC=C(C(N)=O)O2.
What is the InChIKey of 6-acetyl-1,4-benzodioxine-2-carboxamide?
The InChIKey is XZHJYIGXBYFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6(13)7-2-3-8-9(4-7)15-5-10(16-8)11(12)14/h2-5H,1H3,(H2,12,14).
What are the key properties of 6-acetyl-1,4-benzodioxine-2-carboxamide?
6-acetyl-1,4-benzodioxine-2-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,4-benzodioxine-2-carboxamide is sourced from PubChem (CID 19392438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).