2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one

C9H9NO4 — CID 14893475

IUPAC2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)OC(O)C(=O)N2O
InChIInChI=1S/C9H9NO4/c1-5-2-3-6-7(4-5)14-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKeyRMZOYFPXRODTKS-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.43
Rot. Bonds

About 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one

2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one (PubChem CID 14893475) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one
PubChem CID14893475
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)OC(O)C(=O)N2O
InChIInChI=1S/C9H9NO4/c1-5-2-3-6-7(4-5)14-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKeyRMZOYFPXRODTKS-UHFFFAOYSA-N
XLogP0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one (CID 14893475) is 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)OC(O)C(=O)N2O.
What is the InChIKey of 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one?
The InChIKey is RMZOYFPXRODTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5-2-3-6-7(4-5)14-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3.
What are the key properties of 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one?
2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one has a molecular weight of 195.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-7-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 14893475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).