8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C10H11NO3 — CID 90351253

IUPAC8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)OCCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-13-7-2-3-8-9(6-7)14-5-4-10(12)11-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyOLTDYTWKHOUROX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.42
Rot. Bonds1

About 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one

8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 90351253) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID90351253
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)OCCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-13-7-2-3-8-9(6-7)14-5-4-10(12)11-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyOLTDYTWKHOUROX-UHFFFAOYSA-N
XLogP1.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-8-carbonitrile
CID 84661392
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
7-[(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 126779369
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
6-methoxy-1-benzofuran-3-one
CID 585368
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
2-acetyl-7-methoxy-4H-1,4-benzoxazin-3-one
CID 20701063
8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carbonitrile
CID 90351505

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 90351253) is 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is COc1ccc2c(c1)OCCC(=O)N2.
What is the InChIKey of 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is OLTDYTWKHOUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-7-2-3-8-9(6-7)14-5-4-10(12)11-8/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 193.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 90351253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).