7-acetyl-4-methyl-1,4-benzoxazin-3-one

C11H11NO3 — CID 3087787

IUPAC7-acetyl-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C11H11NO3/c1-7(13)8-3-4-9-10(5-8)15-6-11(14)12(9)2/h3-5H,6H2,1-2H3
InChIKeyXTLDCEGIZIGZTI-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.24
Rot. Bonds1

About 7-acetyl-4-methyl-1,4-benzoxazin-3-one

7-acetyl-4-methyl-1,4-benzoxazin-3-one (PubChem CID 3087787) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-acetyl-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-acetyl-4-methyl-1,4-benzoxazin-3-one
PubChem CID3087787
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-acetyl-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C11H11NO3/c1-7(13)8-3-4-9-10(5-8)15-6-11(14)12(9)2/h3-5H,6H2,1-2H3
InChIKeyXTLDCEGIZIGZTI-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-acetyl-4-methyl-1,4-benzoxazin-3-one (CID 3087787) is 7-acetyl-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-acetyl-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-acetyl-4-methyl-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)OCC(=O)N2C.
What is the InChIKey of 7-acetyl-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is XTLDCEGIZIGZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)8-3-4-9-10(5-8)15-6-11(14)12(9)2/h3-5H,6H2,1-2H3.
What are the key properties of 7-acetyl-4-methyl-1,4-benzoxazin-3-one?
7-acetyl-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3087787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).