6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one

C11H11NO4 — CID 11658613

IUPAC6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)N(C)C(=O)C(O)O2
InChIInChI=1S/C11H11NO4/c1-6(13)7-3-4-9-8(5-7)12(2)10(14)11(15)16-9/h3-5,11,15H,1-2H3
InChIKeyCYHOXIZLWWFDTE-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.56
Rot. Bonds1

About 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one

6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one (PubChem CID 11658613) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
PubChem CID11658613
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)N(C)C(=O)C(O)O2
InChIInChI=1S/C11H11NO4/c1-6(13)7-3-4-9-8(5-7)12(2)10(14)11(15)16-9/h3-5,11,15H,1-2H3
InChIKeyCYHOXIZLWWFDTE-UHFFFAOYSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-butyl-4-methyl-1,4-benzoxazin-3-one
CID 11507201
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
6-acetyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84633437
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635
6-acetyl-2,4-dimethyl-1,4-benzothiazin-3-one
CID 82097058
2-(6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile
CID 82019497
2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100944
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one (CID 11658613) is 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)N(C)C(=O)C(O)O2.
What is the InChIKey of 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is CYHOXIZLWWFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6(13)7-3-4-9-8(5-7)12(2)10(14)11(15)16-9/h3-5,11,15H,1-2H3.
What are the key properties of 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one?
6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 221.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 11658613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).