2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile

C12H6N2Te — CID 87575792

IUPAC2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2cc[te]c2c1
InChIInChI=1S/C12H6N2Te/c13-7-10(8-14)5-9-1-2-11-3-4-15-12(11)6-9/h1-6H
InChIKeyOCYNHFNVBGHBJA-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.33
Rot. Bonds1

About 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile

2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile (PubChem CID 87575792) has the molecular formula C12H6N2Te and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile
PubChem CID87575792
Molecular FormulaC12H6N2Te
Molecular Weight305.79 g/mol
Exact Mass307.96
IUPAC Name2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2cc[te]c2c1
InChIInChI=1S/C12H6N2Te/c13-7-10(8-14)5-9-1-2-11-3-4-15-12(11)6-9/h1-6H
InChIKeyOCYNHFNVBGHBJA-UHFFFAOYSA-N
XLogP2.33
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzotellurophen-5-ylmethylidene)propanedinitrile
CID 87575918
2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781
2-[(3,4-difluorophenyl)methylidene]propanedinitrile
CID 786126
2-(1H-indol-5-ylmethylidene)propanedinitrile
CID 5328751
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
CID 11016087
CID 11016087
[4-(2,2-dicyanoethenyl)phenyl]boronic acid
CID 55255339
2-[[4-[[4-(2,2-dicyanoethenyl)-2-ethoxyphenoxy]methoxy]-3-ethoxyphenyl]methylidene]propanedinitrile
CID 50884372
2-[(3-iodo-4-methoxyphenyl)methylidene]propanedinitrile
CID 21208866
2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile
CID 130054771
2-[(5-methylfuran-3-yl)methylidene]propanedinitrile
CID 154883998
2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile
CID 155672171

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile?
The IUPAC name of 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile (CID 87575792) is 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile.
What is the SMILES notation for 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile?
The canonical SMILES for 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile is N#CC(C#N)=Cc1ccc2cc[te]c2c1.
What is the InChIKey of 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile?
The InChIKey is OCYNHFNVBGHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2Te/c13-7-10(8-14)5-9-1-2-11-3-4-15-12(11)6-9/h1-6H.
What are the key properties of 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile?
2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile has a molecular weight of 305.79 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile is sourced from PubChem (CID 87575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).