6-methyl-4H-1,4-benzoxazin-3-one

C9H9NO2 — CID 2763839

IUPAC6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJSBZPNRRLJLZBE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.33
Rot. Bonds

About 6-methyl-4H-1,4-benzoxazin-3-one

6-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 2763839) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-4H-1,4-benzoxazin-3-one
PubChem CID2763839
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJSBZPNRRLJLZBE-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-4H-1,4-benzoxazin-3-one (CID 2763839) is 6-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-4H-1,4-benzoxazin-3-one is Cc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is JSBZPNRRLJLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-methyl-4H-1,4-benzoxazin-3-one?
6-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 163.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 2763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).