2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile

C14H10N4 — CID 102329696

IUPAC2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile
SMILESN#CC(C#N)Cc1ccccc1CC(C#N)C#N
InChIInChI=1S/C14H10N4/c15-7-11(8-16)5-13-3-1-2-4-14(13)6-12(9-17)10-18/h1-4,11-12H,5-6H2
InChIKeyMBZZUYKIGLGIIY-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.10
Rot. Bonds4

About 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile

2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile (PubChem CID 102329696) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile
PubChem CID102329696
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile
SMILESN#CC(C#N)Cc1ccccc1CC(C#N)C#N
InChIInChI=1S/C14H10N4/c15-7-11(8-16)5-13-3-1-2-4-14(13)6-12(9-17)10-18/h1-4,11-12H,5-6H2
InChIKeyMBZZUYKIGLGIIY-UHFFFAOYSA-N
XLogP2.10
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile?
The IUPAC name of 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile (CID 102329696) is 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile.
What is the SMILES notation for 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile?
The canonical SMILES for 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile is N#CC(C#N)Cc1ccccc1CC(C#N)C#N.
What is the InChIKey of 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile?
The InChIKey is MBZZUYKIGLGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-7-11(8-16)5-13-3-1-2-4-14(13)6-12(9-17)10-18/h1-4,11-12H,5-6H2.
What are the key properties of 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile?
2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile has a molecular weight of 234.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dicyanoethyl)phenyl]methyl]propanedinitrile is sourced from PubChem (CID 102329696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).