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

C13H9NS — CID 805089

IUPAC(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccs1)c1ccccc1
InChIInChI=1S/C13H9NS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-9H/b12-9+
InChIKeyFACDZBYANOZMGQ-FMIVXFBMSA-N
MW211.29 g/mol
LogP3.81
Rot. Bonds2

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

(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile (PubChem CID 805089) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile
PubChem CID805089
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccs1)c1ccccc1
InChIInChI=1S/C13H9NS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-9H/b12-9+
InChIKeyFACDZBYANOZMGQ-FMIVXFBMSA-N
XLogP3.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.81
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)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile (CID 805089) is (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile is N#C/C(=C\c1cccs1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile?
The InChIKey is FACDZBYANOZMGQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H9NS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-9H/b12-9+.
What are the key properties of (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile?
(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile has a molecular weight of 211.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 805089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).