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

C10H10BrNO — CID 68679466

IUPAC8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESO=C1CCCNc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c11-7-3-4-8-9(6-7)12-5-1-2-10(8)13/h3-4,6,12H,1-2,5H2
InChIKeyGWEGGKYDFCDMJK-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.84
Rot. Bonds

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

8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one (PubChem CID 68679466) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
PubChem CID68679466
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESO=C1CCCNc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c11-7-3-4-8-9(6-7)12-5-1-2-10(8)13/h3-4,6,12H,1-2,5H2
InChIKeyGWEGGKYDFCDMJK-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The IUPAC name of 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one (CID 68679466) is 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The canonical SMILES for 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one is O=C1CCCNc2cc(Br)ccc21.
What is the InChIKey of 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The InChIKey is GWEGGKYDFCDMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-7-3-4-8-9(6-7)12-5-1-2-10(8)13/h3-4,6,12H,1-2,5H2.
What are the key properties of 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one?
8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one has a molecular weight of 240.10 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one is sourced from PubChem (CID 68679466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).