7-bromo-1,2-dihydro-1-benzazepin-5-one

C10H8BrNO — CID 143944466

IUPAC7-bromo-1,2-dihydro-1-benzazepin-5-one
SMILESO=C1C=CCNc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h1-4,6,12H,5H2
InChIKeyVDUKBQPPFZSLAL-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.61
Rot. Bonds

About 7-bromo-1,2-dihydro-1-benzazepin-5-one

7-bromo-1,2-dihydro-1-benzazepin-5-one (PubChem CID 143944466) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 7-bromo-1,2-dihydro-1-benzazepin-5-one.

Molecular Properties

Compound Name7-bromo-1,2-dihydro-1-benzazepin-5-one
PubChem CID143944466
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name7-bromo-1,2-dihydro-1-benzazepin-5-one
SMILESO=C1C=CCNc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h1-4,6,12H,5H2
InChIKeyVDUKBQPPFZSLAL-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2-dihydro-1-benzazepin-5-one?
The IUPAC name of 7-bromo-1,2-dihydro-1-benzazepin-5-one (CID 143944466) is 7-bromo-1,2-dihydro-1-benzazepin-5-one.
What is the SMILES notation for 7-bromo-1,2-dihydro-1-benzazepin-5-one?
The canonical SMILES for 7-bromo-1,2-dihydro-1-benzazepin-5-one is O=C1C=CCNc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1,2-dihydro-1-benzazepin-5-one?
The InChIKey is VDUKBQPPFZSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h1-4,6,12H,5H2.
What are the key properties of 7-bromo-1,2-dihydro-1-benzazepin-5-one?
7-bromo-1,2-dihydro-1-benzazepin-5-one has a molecular weight of 238.08 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2-dihydro-1-benzazepin-5-one is sourced from PubChem (CID 143944466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).