3-phenyl-3-pyridin-3-ylprop-2-enenitrile

C14H10N2 — CID 66602387

IUPAC3-phenyl-3-pyridin-3-ylprop-2-enenitrile
SMILESN#CC=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H10N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-8,10-11H
InChIKeyITVCGFJBWPTABS-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.04
Rot. Bonds2

About 3-phenyl-3-pyridin-3-ylprop-2-enenitrile

3-phenyl-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 66602387) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-phenyl-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-phenyl-3-pyridin-3-ylprop-2-enenitrile
PubChem CID66602387
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name3-phenyl-3-pyridin-3-ylprop-2-enenitrile
SMILESN#CC=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H10N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-8,10-11H
InChIKeyITVCGFJBWPTABS-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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 3-phenyl-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of 3-phenyl-3-pyridin-3-ylprop-2-enenitrile (CID 66602387) is 3-phenyl-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for 3-phenyl-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for 3-phenyl-3-pyridin-3-ylprop-2-enenitrile is N#CC=C(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-phenyl-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is ITVCGFJBWPTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-8,10-11H.
What are the key properties of 3-phenyl-3-pyridin-3-ylprop-2-enenitrile?
3-phenyl-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 206.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 66602387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).