N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine

C10H10IN — CID 118205000

IUPACN-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine
SMILESC=N/C=C(\C)c1ccc(I)cc1
InChIInChI=1S/C10H10IN/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,2H2,1H3/b8-7+
InChIKeyGUNGGBKGOUGFJX-BQYQJAHWSA-N
MW271.10 g/mol
LogP3.35
Rot. Bonds2

About N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine

N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine (PubChem CID 118205000) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine
PubChem CID118205000
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC NameN-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine
SMILESC=N/C=C(\C)c1ccc(I)cc1
InChIInChI=1S/C10H10IN/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,2H2,1H3/b8-7+
InChIKeyGUNGGBKGOUGFJX-BQYQJAHWSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine (CID 118205000) is N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine is C=N/C=C(\C)c1ccc(I)cc1.
What is the InChIKey of N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine?
The InChIKey is GUNGGBKGOUGFJX-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H10IN/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,2H2,1H3/b8-7+.
What are the key properties of N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine?
N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine has a molecular weight of 271.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine is sourced from PubChem (CID 118205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).