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

C9H9NO3 — CID 11600770

IUPAC7-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyUGJVRGLKGBFDOD-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.03
Rot. Bonds1

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

7-methoxy-4H-1,4-benzoxazin-3-one (PubChem CID 11600770) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 7-methoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-methoxy-4H-1,4-benzoxazin-3-one
PubChem CID11600770
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name7-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyUGJVRGLKGBFDOD-UHFFFAOYSA-N
XLogP1.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-methoxy-4H-1,4-benzoxazin-3-one (CID 11600770) is 7-methoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-methoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-methoxy-4H-1,4-benzoxazin-3-one is COc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-methoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is UGJVRGLKGBFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 7-methoxy-4H-1,4-benzoxazin-3-one?
7-methoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 179.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11600770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).