8-bromo-1,3-dihydro-1-benzazepin-2-one

C10H8BrNO — CID 141349793

IUPAC8-bromo-1,3-dihydro-1-benzazepin-2-one
SMILESO=C1CC=Cc2ccc(Br)cc2N1
InChIInChI=1S/C10H8BrNO/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-2,4-6H,3H2,(H,12,13)
InChIKeyJJIPGHDKNUNIHA-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.80
Rot. Bonds

About 8-bromo-1,3-dihydro-1-benzazepin-2-one

8-bromo-1,3-dihydro-1-benzazepin-2-one (PubChem CID 141349793) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 8-bromo-1,3-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-bromo-1,3-dihydro-1-benzazepin-2-one
PubChem CID141349793
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name8-bromo-1,3-dihydro-1-benzazepin-2-one
SMILESO=C1CC=Cc2ccc(Br)cc2N1
InChIInChI=1S/C10H8BrNO/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-2,4-6H,3H2,(H,12,13)
InChIKeyJJIPGHDKNUNIHA-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
CID 19804193
2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride
CID 155094948
5-bromo-1H-indene
CID 2747571
7-bromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 10538060
3-bromo-7H-benzo[7]annulene
CID 123919953
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
8-bromo-2-sulfanylidene-1,3-dihydro-1-benzazepine-4-carboxylic acid
CID 88593887
7-bromo-1,4-dihydro-3,1-benzoxazin-2-one
CID 46856485
9-bromo-1,2,4,4a,5,7-hexahydro-[1,4]oxazino[4,3-a][1,5]benzodiazepin-6-one
CID 80520614
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
7-bromo-1,2-dihydro-1-benzazepin-5-one
CID 143944466

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-dihydro-1-benzazepin-2-one?
The IUPAC name of 8-bromo-1,3-dihydro-1-benzazepin-2-one (CID 141349793) is 8-bromo-1,3-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 8-bromo-1,3-dihydro-1-benzazepin-2-one?
The canonical SMILES for 8-bromo-1,3-dihydro-1-benzazepin-2-one is O=C1CC=Cc2ccc(Br)cc2N1.
What is the InChIKey of 8-bromo-1,3-dihydro-1-benzazepin-2-one?
The InChIKey is JJIPGHDKNUNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-2,4-6H,3H2,(H,12,13).
What are the key properties of 8-bromo-1,3-dihydro-1-benzazepin-2-one?
8-bromo-1,3-dihydro-1-benzazepin-2-one has a molecular weight of 238.08 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 141349793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).