2-methyl-3H-1,2-benzoxazin-4-one

C9H9NO2 — CID 68679541

IUPAC2-methyl-3H-1,2-benzoxazin-4-one
SMILESCN1CC(=O)c2ccccc2O1
InChIInChI=1S/C9H9NO2/c1-10-6-8(11)7-4-2-3-5-9(7)12-10/h2-5H,6H2,1H3
InChIKeyQFPBMCCLQSOFMY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.11
Rot. Bonds

About 2-methyl-3H-1,2-benzoxazin-4-one

2-methyl-3H-1,2-benzoxazin-4-one (PubChem CID 68679541) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-3H-1,2-benzoxazin-4-one.

Molecular Properties

Compound Name2-methyl-3H-1,2-benzoxazin-4-one
PubChem CID68679541
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-methyl-3H-1,2-benzoxazin-4-one
SMILESCN1CC(=O)c2ccccc2O1
InChIInChI=1S/C9H9NO2/c1-10-6-8(11)7-4-2-3-5-9(7)12-10/h2-5H,6H2,1H3
InChIKeyQFPBMCCLQSOFMY-UHFFFAOYSA-N
XLogP1.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3H-1,2-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-benzoxazin-4-one?
The IUPAC name of 2-methyl-3H-1,2-benzoxazin-4-one (CID 68679541) is 2-methyl-3H-1,2-benzoxazin-4-one.
What is the SMILES notation for 2-methyl-3H-1,2-benzoxazin-4-one?
The canonical SMILES for 2-methyl-3H-1,2-benzoxazin-4-one is CN1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-methyl-3H-1,2-benzoxazin-4-one?
The InChIKey is QFPBMCCLQSOFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-6-8(11)7-4-2-3-5-9(7)12-10/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-3H-1,2-benzoxazin-4-one?
2-methyl-3H-1,2-benzoxazin-4-one has a molecular weight of 163.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2-benzoxazin-4-one is sourced from PubChem (CID 68679541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).