6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one

C9H9NO3 — CID 19095507

IUPAC6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
SMILESCOc1ccc2c(c1)CNC(=O)O2
InChIInChI=1S/C9H9NO3/c1-12-7-2-3-8-6(4-7)5-10-9(11)13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyZOFSQHQZAGDIAR-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.30
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one

6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one (PubChem CID 19095507) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
PubChem CID19095507
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
SMILESCOc1ccc2c(c1)CNC(=O)O2
InChIInChI=1S/C9H9NO3/c1-12-7-2-3-8-6(4-7)5-10-9(11)13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyZOFSQHQZAGDIAR-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
CID 84656764
7-methoxy-3,4-dihydro-1,3-benzoxazine-2-thione
CID 84773574
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
8-methoxy-1-oxo-4,5-dihydro-1λ4,4-benzothiazepin-3-one
CID 54562668
methyl 4-hydroxy-7-methoxy-1,2-dihydroisoquinoline-3-carboxylate
CID 159748762
6-methoxy-4H-1,2-benzothiazin-3-one
CID 67643031
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
7,15-dimethoxy-11-oxatetracyclo[11.4.0.02,4.05,10]heptadeca-1(13),2(4),5(10),6,8,14,16-heptaen-3-one
CID 102343711
7-methoxy-9a-prop-2-enyl-2,9-dihydro-1H-xanthen-3-one
CID 102114513
6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
CID 57074015
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one?
The IUPAC name of 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one (CID 19095507) is 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one?
The canonical SMILES for 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one is COc1ccc2c(c1)CNC(=O)O2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one?
The InChIKey is ZOFSQHQZAGDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-7-2-3-8-6(4-7)5-10-9(11)13-8/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one?
6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one has a molecular weight of 179.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one is sourced from PubChem (CID 19095507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).