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

C10H10BrNO2 — CID 83853391

IUPAC7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCN1CCOc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H10BrNO2/c1-12-4-5-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyLOEKHTHCYNVYHS-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.91
Rot. Bonds

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

7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 83853391) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID83853391
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCN1CCOc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H10BrNO2/c1-12-4-5-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyLOEKHTHCYNVYHS-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
CID 5323852
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 14762912
7-Fluoro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CID 55250652
2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one
CID 340629
4-(3-methoxybenzyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CID 5152791
7-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
CID 60124972
[2-(Morpholine-4-carbonyl)phenyl] 3-bromobenzoate
CID 657858
2-(Morpholin-4-ylcarbonyl)phenyl 4-bromobenzoate
CID 1125854
[(3R,5S)-7-bromo-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-chlorophenyl)methanone
CID 57391099
(2-Methoxyphenyl)(morpholin-4-yl)methanone
CID 531910
2-Ethoxy-N,N-diethylbenzamide
CID 77268
N,N-Diethyl-2-(2-propen-1-yloxy)benzamide
CID 45052

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The IUPAC name of 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one (CID 83853391) is 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one is CN1CCOc2ccc(Br)cc2C1=O.
What is the InChIKey of 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
The InChIKey is LOEKHTHCYNVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-12-4-5-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one?
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 256.10 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 83853391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).