5,7-dihydro-1-benzazepin-6-one;dihydrobromide

C10H11Br2NO — CID 67729416

IUPAC5,7-dihydro-1-benzazepin-6-one;dihydrobromide
SMILESBr.Br.O=C1CC=CC2=C1CC=CC=N2
InChIInChI=1S/C10H9NO.2BrH/c12-10-6-3-5-9-8(10)4-1-2-7-11-9;;/h1-3,5,7H,4,6H2;2*1H
InChIKeyAXPXAKCJNBBNKO-UHFFFAOYSA-N
MW321.01 g/mol
LogP2.96
Rot. Bonds

About 5,7-dihydro-1-benzazepin-6-one;dihydrobromide

5,7-dihydro-1-benzazepin-6-one;dihydrobromide (PubChem CID 67729416) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 5,7-dihydro-1-benzazepin-6-one;dihydrobromide.

Molecular Properties

Compound Name5,7-dihydro-1-benzazepin-6-one;dihydrobromide
PubChem CID67729416
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name5,7-dihydro-1-benzazepin-6-one;dihydrobromide
SMILESBr.Br.O=C1CC=CC2=C1CC=CC=N2
InChIInChI=1S/C10H9NO.2BrH/c12-10-6-3-5-9-8(10)4-1-2-7-11-9;;/h1-3,5,7H,4,6H2;2*1H
InChIKeyAXPXAKCJNBBNKO-UHFFFAOYSA-N
XLogP2.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-1-benzazepin-6-one;dihydrobromide?
The IUPAC name of 5,7-dihydro-1-benzazepin-6-one;dihydrobromide (CID 67729416) is 5,7-dihydro-1-benzazepin-6-one;dihydrobromide.
What is the SMILES notation for 5,7-dihydro-1-benzazepin-6-one;dihydrobromide?
The canonical SMILES for 5,7-dihydro-1-benzazepin-6-one;dihydrobromide is Br.Br.O=C1CC=CC2=C1CC=CC=N2.
What is the InChIKey of 5,7-dihydro-1-benzazepin-6-one;dihydrobromide?
The InChIKey is AXPXAKCJNBBNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.2BrH/c12-10-6-3-5-9-8(10)4-1-2-7-11-9;;/h1-3,5,7H,4,6H2;2*1H.
What are the key properties of 5,7-dihydro-1-benzazepin-6-one;dihydrobromide?
5,7-dihydro-1-benzazepin-6-one;dihydrobromide has a molecular weight of 321.01 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-1-benzazepin-6-one;dihydrobromide is sourced from PubChem (CID 67729416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).