(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile

C15H10IN — CID 126370326

IUPAC(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1I)c1ccccc1
InChIInChI=1S/C15H10IN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-10H/b14-10-
InChIKeyQZXFHTHMDLLISJ-UVTDQMKNSA-N
MW331.16 g/mol
LogP4.36
Rot. Bonds2

About (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile

(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile (PubChem CID 126370326) has the molecular formula C15H10IN and a molecular weight of 331.16 g/mol. Its IUPAC name is (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
PubChem CID126370326
Molecular FormulaC15H10IN
Molecular Weight331.16 g/mol
Exact Mass330.99
IUPAC Name(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1I)c1ccccc1
InChIInChI=1S/C15H10IN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-10H/b14-10-
InChIKeyQZXFHTHMDLLISJ-UVTDQMKNSA-N
XLogP4.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
2-[(2-iodophenyl)methylidene]propanedinitrile
CID 2302403
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3824630
(E)-3-(3,5-diiodo-4-propan-2-yloxyphenyl)-2-phenylprop-2-enenitrile
CID 126371439
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile (CID 126370326) is (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile is N#C/C(=C/c1ccccc1I)c1ccccc1.
What is the InChIKey of (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile?
The InChIKey is QZXFHTHMDLLISJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10IN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-10H/b14-10-.
What are the key properties of (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile?
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile has a molecular weight of 331.16 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 126370326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).