8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde

C10H9NO4 — CID 86664225

IUPAC8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
SMILESCC1Oc2c(O)cc(C=O)cc2NC1=O
InChIInChI=1S/C10H9NO4/c1-5-10(14)11-7-2-6(4-12)3-8(13)9(7)15-5/h2-5,13H,1H3,(H,11,14)
InChIKeyJJZOCPUSOAULSQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.92
Rot. Bonds1

About 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde

8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (PubChem CID 86664225) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde.

Molecular Properties

Compound Name8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
PubChem CID86664225
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
SMILESCC1Oc2c(O)cc(C=O)cc2NC1=O
InChIInChI=1S/C10H9NO4/c1-5-10(14)11-7-2-6(4-12)3-8(13)9(7)15-5/h2-5,13H,1H3,(H,11,14)
InChIKeyJJZOCPUSOAULSQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde?
The IUPAC name of 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CID 86664225) is 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde.
What is the SMILES notation for 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde?
The canonical SMILES for 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde is CC1Oc2c(O)cc(C=O)cc2NC1=O.
What is the InChIKey of 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde?
The InChIKey is JJZOCPUSOAULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-10(14)11-7-2-6(4-12)3-8(13)9(7)15-5/h2-5,13H,1H3,(H,11,14).
What are the key properties of 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde?
8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde has a molecular weight of 207.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde is sourced from PubChem (CID 86664225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).