[(E)-5-azido-1-iodopent-3-enyl]benzene

C11H12IN3 — CID 134843023

IUPAC[(E)-5-azido-1-iodopent-3-enyl]benzene
SMILES[N-]=[N+]=NC/C=C/CC(I)c1ccccc1
InChIInChI=1S/C11H12IN3/c12-11(8-4-5-9-14-15-13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+
InChIKeyNHYYHEXEXVXHIE-SNAWJCMRSA-N
MW313.14 g/mol
LogP4.42
Rot. Bonds5

About [(E)-5-azido-1-iodopent-3-enyl]benzene

[(E)-5-azido-1-iodopent-3-enyl]benzene (PubChem CID 134843023) has the molecular formula C11H12IN3 and a molecular weight of 313.14 g/mol. Its IUPAC name is [(E)-5-azido-1-iodopent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-azido-1-iodopent-3-enyl]benzene
PubChem CID134843023
Molecular FormulaC11H12IN3
Molecular Weight313.14 g/mol
Exact Mass313.01
IUPAC Name[(E)-5-azido-1-iodopent-3-enyl]benzene
SMILES[N-]=[N+]=NC/C=C/CC(I)c1ccccc1
InChIInChI=1S/C11H12IN3/c12-11(8-4-5-9-14-15-13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+
InChIKeyNHYYHEXEXVXHIE-SNAWJCMRSA-N
XLogP4.42
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(E)-5-azido-1-iodopent-3-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-5-azido-1-iodopent-3-enyl]benzene?
The IUPAC name of [(E)-5-azido-1-iodopent-3-enyl]benzene (CID 134843023) is [(E)-5-azido-1-iodopent-3-enyl]benzene.
What is the SMILES notation for [(E)-5-azido-1-iodopent-3-enyl]benzene?
The canonical SMILES for [(E)-5-azido-1-iodopent-3-enyl]benzene is [N-]=[N+]=NC/C=C/CC(I)c1ccccc1.
What is the InChIKey of [(E)-5-azido-1-iodopent-3-enyl]benzene?
The InChIKey is NHYYHEXEXVXHIE-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12IN3/c12-11(8-4-5-9-14-15-13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+.
What are the key properties of [(E)-5-azido-1-iodopent-3-enyl]benzene?
[(E)-5-azido-1-iodopent-3-enyl]benzene has a molecular weight of 313.14 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-azido-1-iodopent-3-enyl]benzene is sourced from PubChem (CID 134843023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).