(Z)-N-ethenyl-3-iodoprop-2-en-1-imine

C5H6IN — CID 88559039

IUPAC(Z)-N-ethenyl-3-iodoprop-2-en-1-imine
SMILESC=C/N=C/C=C\I
InChIInChI=1S/C5H6IN/c1-2-7-5-3-4-6/h2-5H,1H2/b4-3-,7-5+
InChIKeyJZXHFTFDBREUOQ-QVXLNCAUSA-N
MW207.01 g/mol
LogP2.15
Rot. Bonds2

About (Z)-N-ethenyl-3-iodoprop-2-en-1-imine

(Z)-N-ethenyl-3-iodoprop-2-en-1-imine (PubChem CID 88559039) has the molecular formula C5H6IN and a molecular weight of 207.01 g/mol. Its IUPAC name is (Z)-N-ethenyl-3-iodoprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-3-iodoprop-2-en-1-imine
PubChem CID88559039
Molecular FormulaC5H6IN
Molecular Weight207.01 g/mol
Exact Mass206.95
IUPAC Name(Z)-N-ethenyl-3-iodoprop-2-en-1-imine
SMILESC=C/N=C/C=C\I
InChIInChI=1S/C5H6IN/c1-2-7-5-3-4-6/h2-5H,1H2/b4-3-,7-5+
InChIKeyJZXHFTFDBREUOQ-QVXLNCAUSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.01
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (Z)-N-ethenyl-3-iodoprop-2-en-1-imine 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 (Z)-N-ethenyl-3-iodoprop-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-3-iodoprop-2-en-1-imine (CID 88559039) is (Z)-N-ethenyl-3-iodoprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-3-iodoprop-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-3-iodoprop-2-en-1-imine is C=C/N=C/C=C\I.
What is the InChIKey of (Z)-N-ethenyl-3-iodoprop-2-en-1-imine?
The InChIKey is JZXHFTFDBREUOQ-QVXLNCAUSA-N. The full InChI is InChI=1S/C5H6IN/c1-2-7-5-3-4-6/h2-5H,1H2/b4-3-,7-5+.
What are the key properties of (Z)-N-ethenyl-3-iodoprop-2-en-1-imine?
(Z)-N-ethenyl-3-iodoprop-2-en-1-imine has a molecular weight of 207.01 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-3-iodoprop-2-en-1-imine is sourced from PubChem (CID 88559039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).