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

C11H12BrNO2 — CID 82233528

IUPAC8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc2c(cc1Br)OCCC(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-7-5-9-10(6-8(7)12)15-4-3-11(14)13(9)2/h5-6H,3-4H2,1-2H3
InChIKeyKFJDCVYMJHCMMW-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.50
Rot. Bonds

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

8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82233528) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82233528
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc2c(cc1Br)OCCC(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-7-5-9-10(6-8(7)12)15-4-3-11(14)13(9)2/h5-6H,3-4H2,1-2H3
InChIKeyKFJDCVYMJHCMMW-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82232150
8-bromo-3,5,7-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233778
9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230995
5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230318
10-methyl-9-oxo-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-h][1,5]benzoxazepine-2-carbonitrile
CID 166848613
5-methyl-7-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 90351166
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759162
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
5-methyl-7-(3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156648301
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82233528) is 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is Cc1cc2c(cc1Br)OCCC(=O)N2C.
What is the InChIKey of 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is KFJDCVYMJHCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7-5-9-10(6-8(7)12)15-4-3-11(14)13(9)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 270.13 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82233528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).