(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile

C12H8N2S — CID 11947709

IUPAC(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccs1)c1ccccn1
InChIInChI=1S/C12H8N2S/c13-9-10(8-11-4-3-7-15-11)12-5-1-2-6-14-12/h1-8H/b10-8-
InChIKeyHLQZGTAQQPBTIG-NTMALXAHSA-N
MW212.28 g/mol
LogP3.21
Rot. Bonds2

About (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile

(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile (PubChem CID 11947709) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile
PubChem CID11947709
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccs1)c1ccccn1
InChIInChI=1S/C12H8N2S/c13-9-10(8-11-4-3-7-15-11)12-5-1-2-6-14-12/h1-8H/b10-8-
InChIKeyHLQZGTAQQPBTIG-NTMALXAHSA-N
XLogP3.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile (CID 11947709) is (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile is N#C/C(=C/c1cccs1)c1ccccn1.
What is the InChIKey of (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile?
The InChIKey is HLQZGTAQQPBTIG-NTMALXAHSA-N. The full InChI is InChI=1S/C12H8N2S/c13-9-10(8-11-4-3-7-15-11)12-5-1-2-6-14-12/h1-8H/b10-8-.
What are the key properties of (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile?
(E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile has a molecular weight of 212.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pyridin-2-yl-3-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 11947709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).