2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile

C15H10N2OS — CID 2740897

IUPAC2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile
SMILESCOc1ccc(-c2ccc(C=C(C#N)C#N)s2)cc1
InChIInChI=1S/C15H10N2OS/c1-18-13-4-2-12(3-5-13)15-7-6-14(19-15)8-11(9-16)10-17/h2-8H,1H3
InChIKeySDPZPHYENKIYJJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.85
Rot. Bonds3

About 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile

2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile (PubChem CID 2740897) has the molecular formula C15H10N2OS and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile
PubChem CID2740897
Molecular FormulaC15H10N2OS
Molecular Weight266.32 g/mol
Exact Mass266.05
IUPAC Name2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile
SMILESCOc1ccc(-c2ccc(C=C(C#N)C#N)s2)cc1
InChIInChI=1S/C15H10N2OS/c1-18-13-4-2-12(3-5-13)15-7-6-14(19-15)8-11(9-16)10-17/h2-8H,1H3
InChIKeySDPZPHYENKIYJJ-UHFFFAOYSA-N
XLogP3.85
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile (CID 2740897) is 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile is COc1ccc(-c2ccc(C=C(C#N)C#N)s2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile?
The InChIKey is SDPZPHYENKIYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c1-18-13-4-2-12(3-5-13)15-7-6-14(19-15)8-11(9-16)10-17/h2-8H,1H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile?
2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile has a molecular weight of 266.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 2740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).