1H-azepine;iodosilver

C6H7AgIN — CID 174831304

IUPAC1H-azepine;iodosilver
SMILESC1=CC=CNC=C1.[Ag]I
InChIInChI=1S/C6H7N.Ag.HI/c1-2-4-6-7-5-3-1;;/h1-7H;;1H/q;+1;/p-1
InChIKeyQYIYCFSTHSAMOU-UHFFFAOYSA-M
MW327.90 g/mol
LogP2.06
Rot. Bonds

About 1H-azepine;iodosilver

1H-azepine;iodosilver (PubChem CID 174831304) has the molecular formula C6H7AgIN and a molecular weight of 327.90 g/mol. Its IUPAC name is 1H-azepine;iodosilver.

Molecular Properties

Compound Name1H-azepine;iodosilver
PubChem CID174831304
Molecular FormulaC6H7AgIN
Molecular Weight327.90 g/mol
Exact Mass326.87
IUPAC Name1H-azepine;iodosilver
SMILESC1=CC=CNC=C1.[Ag]I
InChIInChI=1S/C6H7N.Ag.HI/c1-2-4-6-7-5-3-1;;/h1-7H;;1H/q;+1;/p-1
InChIKeyQYIYCFSTHSAMOU-UHFFFAOYSA-M
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-azepine;iodosilver?
The IUPAC name of 1H-azepine;iodosilver (CID 174831304) is 1H-azepine;iodosilver.
What is the SMILES notation for 1H-azepine;iodosilver?
The canonical SMILES for 1H-azepine;iodosilver is C1=CC=CNC=C1.[Ag]I.
What is the InChIKey of 1H-azepine;iodosilver?
The InChIKey is QYIYCFSTHSAMOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N.Ag.HI/c1-2-4-6-7-5-3-1;;/h1-7H;;1H/q;+1;/p-1.
What are the key properties of 1H-azepine;iodosilver?
1H-azepine;iodosilver has a molecular weight of 327.90 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;iodosilver is sourced from PubChem (CID 174831304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).