2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile

C14H10N2 — CID 155672171

IUPAC2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile
SMILESC=Cc1cc(C=C)cc(C=C(C#N)C#N)c1
InChIInChI=1S/C14H10N2/c1-3-11-5-12(4-2)7-13(6-11)8-14(9-15)10-16/h3-8H,1-2H2
InChIKeyKSTLVCZNZMCERY-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.40
Rot. Bonds3

About 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile

2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile (PubChem CID 155672171) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile
PubChem CID155672171
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile
SMILESC=Cc1cc(C=C)cc(C=C(C#N)C#N)c1
InChIInChI=1S/C14H10N2/c1-3-11-5-12(4-2)7-13(6-11)8-14(9-15)10-16/h3-8H,1-2H2
InChIKeyKSTLVCZNZMCERY-UHFFFAOYSA-N
XLogP3.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile (CID 155672171) is 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile is C=Cc1cc(C=C)cc(C=C(C#N)C#N)c1.
What is the InChIKey of 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile?
The InChIKey is KSTLVCZNZMCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-3-11-5-12(4-2)7-13(6-11)8-14(9-15)10-16/h3-8H,1-2H2.
What are the key properties of 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile?
2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile has a molecular weight of 206.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile is sourced from PubChem (CID 155672171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).