9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one

C10H11NO3 — CID 121207723

IUPAC9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one
SMILESCN1Cc2cccc(O)c2OCC1=O
InChIInChI=1S/C10H11NO3/c1-11-5-7-3-2-4-8(12)10(7)14-6-9(11)13/h2-4,12H,5-6H2,1H3
InChIKeyIJJWUBGSIDYTIS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.74
Rot. Bonds

About 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one

9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one (PubChem CID 121207723) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one.

Molecular Properties

Compound Name9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one
PubChem CID121207723
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one
SMILESCN1Cc2cccc(O)c2OCC1=O
InChIInChI=1S/C10H11NO3/c1-11-5-7-3-2-4-8(12)10(7)14-6-9(11)13/h2-4,12H,5-6H2,1H3
InChIKeyIJJWUBGSIDYTIS-UHFFFAOYSA-N
XLogP0.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one?
The IUPAC name of 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one (CID 121207723) is 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one.
What is the SMILES notation for 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one?
The canonical SMILES for 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one is CN1Cc2cccc(O)c2OCC1=O.
What is the InChIKey of 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one?
The InChIKey is IJJWUBGSIDYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-5-7-3-2-4-8(12)10(7)14-6-9(11)13/h2-4,12H,5-6H2,1H3.
What are the key properties of 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one?
9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one has a molecular weight of 193.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one is sourced from PubChem (CID 121207723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).