7-iodo-1-benzazepin-2-one

C10H6INO — CID 21454129

IUPAC7-iodo-1-benzazepin-2-one
SMILESO=c1cccc2cc(I)ccc2n1
InChIInChI=1S/C10H6INO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H
InChIKeyWWIATTQXKQVGCR-UHFFFAOYSA-N
MW283.07 g/mol
LogP2.20
Rot. Bonds

About 7-iodo-1-benzazepin-2-one

7-iodo-1-benzazepin-2-one (PubChem CID 21454129) has the molecular formula C10H6INO and a molecular weight of 283.07 g/mol. Its IUPAC name is 7-iodo-1-benzazepin-2-one.

Molecular Properties

Compound Name7-iodo-1-benzazepin-2-one
PubChem CID21454129
Molecular FormulaC10H6INO
Molecular Weight283.07 g/mol
Exact Mass282.95
IUPAC Name7-iodo-1-benzazepin-2-one
SMILESO=c1cccc2cc(I)ccc2n1
InChIInChI=1S/C10H6INO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H
InChIKeyWWIATTQXKQVGCR-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-benzazepin-2-one?
The IUPAC name of 7-iodo-1-benzazepin-2-one (CID 21454129) is 7-iodo-1-benzazepin-2-one.
What is the SMILES notation for 7-iodo-1-benzazepin-2-one?
The canonical SMILES for 7-iodo-1-benzazepin-2-one is O=c1cccc2cc(I)ccc2n1.
What is the InChIKey of 7-iodo-1-benzazepin-2-one?
The InChIKey is WWIATTQXKQVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H.
What are the key properties of 7-iodo-1-benzazepin-2-one?
7-iodo-1-benzazepin-2-one has a molecular weight of 283.07 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-benzazepin-2-one is sourced from PubChem (CID 21454129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).