(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile

C14H10N2 — CID 6065026

IUPAC(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccccn1
InChIInChI=1S/C14H10N2/c15-11-13(14-8-4-5-9-16-14)10-12-6-2-1-3-7-12/h1-10H/b13-10+
InChIKeyVYAKUOUEVIVXAA-JLHYYAGUSA-N
MW206.25 g/mol
LogP3.15
Rot. Bonds2

About (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 6065026) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
PubChem CID6065026
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccccn1
InChIInChI=1S/C14H10N2/c15-11-13(14-8-4-5-9-16-14)10-12-6-2-1-3-7-12/h1-10H/b13-10+
InChIKeyVYAKUOUEVIVXAA-JLHYYAGUSA-N
XLogP3.15
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile (CID 6065026) is (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1ccccc1)c1ccccn1.
What is the InChIKey of (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is VYAKUOUEVIVXAA-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H10N2/c15-11-13(14-8-4-5-9-16-14)10-12-6-2-1-3-7-12/h1-10H/b13-10+.
What are the key properties of (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 206.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 6065026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).