8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one

C10H10BrNO — CID 83853264

IUPAC8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c11-8-4-3-7-2-1-5-12-10(13)9(7)6-8/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyOHHJXRYJZFFFSR-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.13
Rot. Bonds

About 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 83853264) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID83853264
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c11-8-4-3-7-2-1-5-12-10(13)9(7)6-8/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyOHHJXRYJZFFFSR-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2057509
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
n-Benzyl-4-bromobenzamide
CID 781117
3-bromo-N-cyclopropylbenzamide
CID 896152
N-benzyl-2-bromobenzamide
CID 687458
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
2-bromo-N-(2-phenylethyl)benzamide
CID 673840
5-Bromo-1,2,3,4-tetrahydroisoquinolin-1-one
CID 21865472

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 83853264) is 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2ccc(Br)cc21.
What is the InChIKey of 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is OHHJXRYJZFFFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-4-3-7-2-1-5-12-10(13)9(7)6-8/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 240.10 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 83853264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).