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

C10H9NO3 — CID 13090329

IUPAC7-acetyl-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C10H9NO3/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyACFYAUKMPJWHID-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.22
Rot. Bonds1

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

7-acetyl-4H-1,4-benzoxazin-3-one (PubChem CID 13090329) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-acetyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-acetyl-4H-1,4-benzoxazin-3-one
PubChem CID13090329
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name7-acetyl-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C10H9NO3/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyACFYAUKMPJWHID-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 2764458
4-Methoxyacridin-9(10H)-one
CID 51991
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
4-Benzoyl-2-phenyl-4H-benzo[1,4]oxazin-3-one
CID 3254714
methyl 4-[(Z)-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoate
CID 24762081
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
8-Methoxy-2-methylquinolin-4-ol
CID 308133
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
CID 3641956
N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
CID 24848458
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 2151930
N-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl}acetamide
CID 2728500

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-acetyl-4H-1,4-benzoxazin-3-one (CID 13090329) is 7-acetyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-acetyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-acetyl-4H-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-acetyl-4H-1,4-benzoxazin-3-one?
The InChIKey is ACFYAUKMPJWHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 7-acetyl-4H-1,4-benzoxazin-3-one?
7-acetyl-4H-1,4-benzoxazin-3-one has a molecular weight of 191.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 13090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).