2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile

C15H14N2Si — CID 134112108

IUPAC2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile
SMILESC[Si](C)(C)C#Cc1ccc(C=C(C#N)C#N)cc1
InChIInChI=1S/C15H14N2Si/c1-18(2,3)9-8-13-4-6-14(7-5-13)10-15(11-16)12-17/h4-7,10H,1-3H3
InChIKeyLERYQUVYOKHYMT-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.35
Rot. Bonds1

About 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile

2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile (PubChem CID 134112108) has the molecular formula C15H14N2Si and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile
PubChem CID134112108
Molecular FormulaC15H14N2Si
Molecular Weight250.38 g/mol
Exact Mass250.09
IUPAC Name2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile
SMILESC[Si](C)(C)C#Cc1ccc(C=C(C#N)C#N)cc1
InChIInChI=1S/C15H14N2Si/c1-18(2,3)9-8-13-4-6-14(7-5-13)10-15(11-16)12-17/h4-7,10H,1-3H3
InChIKeyLERYQUVYOKHYMT-UHFFFAOYSA-N
XLogP3.35
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.35
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile with MolForge

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Related Compounds

(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile
CID 99773007
2-[[4-[dimethyl(trimethylsilyl)silyl]phenyl]methylidene]propanedinitrile
CID 15156874
(E)-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-en-1-ol
CID 175531541
4-(2-trimethylsilylethynyl)phenol
CID 10750210
4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
CID 69484722
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
[4-(2,2-dicyanoethenyl)phenyl]boronic acid
CID 55255339
2-[[4-[2-[4-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]phenyl]ethynyl]phenyl]methylidene]propanedinitrile
CID 102283444
2-[[4-(2-methylpropyl)phenyl]methylidene]propanedinitrile
CID 19101028
2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile (CID 134112108) is 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile is C[Si](C)(C)C#Cc1ccc(C=C(C#N)C#N)cc1.
What is the InChIKey of 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile?
The InChIKey is LERYQUVYOKHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2Si/c1-18(2,3)9-8-13-4-6-14(7-5-13)10-15(11-16)12-17/h4-7,10H,1-3H3.
What are the key properties of 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile?
2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile has a molecular weight of 250.38 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile is sourced from PubChem (CID 134112108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).