(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile

C14H11NOS — CID 12037395

IUPAC(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
SMILESCOc1ccc(/C(=C/C#N)c2cccs2)cc1
InChIInChI=1S/C14H11NOS/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10H,1H3/b13-8-
InChIKeyRDORRKLLOOGVPS-JYRVWZFOSA-N
MW241.31 g/mol
LogP3.71
Rot. Bonds3

About (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile

(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile (PubChem CID 12037395) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
PubChem CID12037395
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
SMILESCOc1ccc(/C(=C/C#N)c2cccs2)cc1
InChIInChI=1S/C14H11NOS/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10H,1H3/b13-8-
InChIKeyRDORRKLLOOGVPS-JYRVWZFOSA-N
XLogP3.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.71
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 (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile (CID 12037395) is (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile is COc1ccc(/C(=C/C#N)c2cccs2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile?
The InChIKey is RDORRKLLOOGVPS-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10H,1H3/b13-8-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile?
(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile has a molecular weight of 241.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 12037395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).