N-(4-iodophenyl)-3-phenylprop-2-en-1-imine

C15H12IN — CID 554999

IUPACN-(4-iodophenyl)-3-phenylprop-2-en-1-imine
SMILESIc1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C15H12IN/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-12H/b7-4?,17-12+
InChIKeyNAMHBEACIJQJCO-YPGBBQFXSA-N
MW333.17 g/mol
LogP4.71
Rot. Bonds3

About N-(4-iodophenyl)-3-phenylprop-2-en-1-imine

N-(4-iodophenyl)-3-phenylprop-2-en-1-imine (PubChem CID 554999) has the molecular formula C15H12IN and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-phenylprop-2-en-1-imine
PubChem CID554999
Molecular FormulaC15H12IN
Molecular Weight333.17 g/mol
Exact Mass333.00
IUPAC NameN-(4-iodophenyl)-3-phenylprop-2-en-1-imine
SMILESIc1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C15H12IN/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-12H/b7-4?,17-12+
InChIKeyNAMHBEACIJQJCO-YPGBBQFXSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.71
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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Related Compounds

(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
[4-(cinnamylideneamino)phenyl] thiocyanate
CID 165354730
(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 6302344
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
CID 171140821
2-[[(E)-3-phenylprop-2-enylidene]amino]benzenethiolate;thallium(1+)
CID 15967282
methyl 4-[(E)-3-phenyliminoprop-1-enyl]benzoate
CID 11514500

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of N-(4-iodophenyl)-3-phenylprop-2-en-1-imine (CID 554999) is N-(4-iodophenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for N-(4-iodophenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for N-(4-iodophenyl)-3-phenylprop-2-en-1-imine is Ic1ccc(/N=C/C=Cc2ccccc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is NAMHBEACIJQJCO-YPGBBQFXSA-N. The full InChI is InChI=1S/C15H12IN/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-12H/b7-4?,17-12+.
What are the key properties of N-(4-iodophenyl)-3-phenylprop-2-en-1-imine?
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 333.17 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 554999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).