8-iodo-1-benzazocine

C11H8IN — CID 54001385

IUPAC8-iodo-1-benzazocine
SMILESIc1ccc2c(c1)C=CC=C/C=N\2
InChIInChI=1S/C11H8IN/c12-10-5-6-11-9(8-10)4-2-1-3-7-13-11/h1-8H/b2-1?,3-1?,4-2?,7-3?,9-4?,13-7-,13-11-
InChIKeyKLWCQGBUSTXHBI-QJSVGWDISA-N
MW281.10 g/mol
LogP3.58
Rot. Bonds

About 8-iodo-1-benzazocine

8-iodo-1-benzazocine (PubChem CID 54001385) has the molecular formula C11H8IN and a molecular weight of 281.10 g/mol. Its IUPAC name is 8-iodo-1-benzazocine.

Molecular Properties

Compound Name8-iodo-1-benzazocine
PubChem CID54001385
Molecular FormulaC11H8IN
Molecular Weight281.10 g/mol
Exact Mass280.97
IUPAC Name8-iodo-1-benzazocine
SMILESIc1ccc2c(c1)C=CC=C/C=N\2
InChIInChI=1S/C11H8IN/c12-10-5-6-11-9(8-10)4-2-1-3-7-13-11/h1-8H/b2-1?,3-1?,4-2?,7-3?,9-4?,13-7-,13-11-
InChIKeyKLWCQGBUSTXHBI-QJSVGWDISA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 8-iodo-1-benzazocine?
The IUPAC name of 8-iodo-1-benzazocine (CID 54001385) is 8-iodo-1-benzazocine.
What is the SMILES notation for 8-iodo-1-benzazocine?
The canonical SMILES for 8-iodo-1-benzazocine is Ic1ccc2c(c1)C=CC=C/C=N\2.
What is the InChIKey of 8-iodo-1-benzazocine?
The InChIKey is KLWCQGBUSTXHBI-QJSVGWDISA-N. The full InChI is InChI=1S/C11H8IN/c12-10-5-6-11-9(8-10)4-2-1-3-7-13-11/h1-8H/b2-1?,3-1?,4-2?,7-3?,9-4?,13-7-,13-11-.
What are the key properties of 8-iodo-1-benzazocine?
8-iodo-1-benzazocine has a molecular weight of 281.10 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-1-benzazocine is sourced from PubChem (CID 54001385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).