(E)-2,3-diphenylprop-2-enenitrile

C15H11N — CID 1268120

IUPAC(E)-2,3-diphenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-
InChIKeyVFOKYTYWXOYPOX-PTNGSMBKSA-N
MW205.26 g/mol
LogP3.75
Rot. Bonds2

About (E)-2,3-diphenylprop-2-enenitrile

(E)-2,3-diphenylprop-2-enenitrile (PubChem CID 1268120) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-2,3-diphenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2,3-diphenylprop-2-enenitrile
PubChem CID1268120
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name(E)-2,3-diphenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-
InChIKeyVFOKYTYWXOYPOX-PTNGSMBKSA-N
XLogP3.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenylprop-2-enenitrile?
The IUPAC name of (E)-2,3-diphenylprop-2-enenitrile (CID 1268120) is (E)-2,3-diphenylprop-2-enenitrile.
What is the SMILES notation for (E)-2,3-diphenylprop-2-enenitrile?
The canonical SMILES for (E)-2,3-diphenylprop-2-enenitrile is N#C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenylprop-2-enenitrile?
The InChIKey is VFOKYTYWXOYPOX-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-.
What are the key properties of (E)-2,3-diphenylprop-2-enenitrile?
(E)-2,3-diphenylprop-2-enenitrile has a molecular weight of 205.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenylprop-2-enenitrile is sourced from PubChem (CID 1268120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).