8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one

C11H12BrNO3 — CID 175489146

IUPAC8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCOc1cc2c(cc1Br)OCCN(C)C2=O
InChIInChI=1S/C11H12BrNO3/c1-13-3-4-16-9-6-8(12)10(15-2)5-7(9)11(13)14/h5-6H,3-4H2,1-2H3
InChIKeyJZJCZPPBEIYWKS-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.92
Rot. Bonds1

About 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one

8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 175489146) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID175489146
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCOc1cc2c(cc1Br)OCCN(C)C2=O
InChIInChI=1S/C11H12BrNO3/c1-13-3-4-16-9-6-8(12)10(15-2)5-7(9)11(13)14/h5-6H,3-4H2,1-2H3
InChIKeyJZJCZPPBEIYWKS-UHFFFAOYSA-N
XLogP1.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-6-methoxy-2,3-dihydrochromen-4-one
CID 84708948
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853392
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853391
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
4-methyl-8-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 67263378
6-methoxy-7-methyl-2,3-dihydrochromen-4-one
CID 55297174
2-(3,4-dimethoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 134810640
14-chloro-5-[2-(2-methoxyphenyl)acetyl]-10-methyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-11-one
CID 133068223
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 16812651
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
5-bromo-2-chloro-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 44963927
3-(2,4-dibromo-5-methoxyanilino)-1-methylpyrrolidin-2-one
CID 103412782

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The IUPAC name of 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one (CID 175489146) is 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one.
What is the SMILES notation for 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The canonical SMILES for 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one is COc1cc2c(cc1Br)OCCN(C)C2=O.
What is the InChIKey of 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The InChIKey is JZJCZPPBEIYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-13-3-4-16-9-6-8(12)10(15-2)5-7(9)11(13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 286.12 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 175489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).