3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile

C15H10N4 — CID 166662907

IUPAC3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile
SMILESC=Cc1c(C#N)c(C#N)c(C(C)C)c(C#N)c1C#N
InChIInChI=1S/C15H10N4/c1-4-10-11(5-16)13(7-18)15(9(2)3)14(8-19)12(10)6-17/h4,9H,1H2,2-3H3
InChIKeyGHDTWAPSMFSECY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.94
Rot. Bonds2

About 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile

3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile (PubChem CID 166662907) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile.

Molecular Properties

Compound Name3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile
PubChem CID166662907
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile
SMILESC=Cc1c(C#N)c(C#N)c(C(C)C)c(C#N)c1C#N
InChIInChI=1S/C15H10N4/c1-4-10-11(5-16)13(7-18)15(9(2)3)14(8-19)12(10)6-17/h4,9H,1H2,2-3H3
InChIKeyGHDTWAPSMFSECY-UHFFFAOYSA-N
XLogP2.94
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile?
The IUPAC name of 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile (CID 166662907) is 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile.
What is the SMILES notation for 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile?
The canonical SMILES for 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile is C=Cc1c(C#N)c(C#N)c(C(C)C)c(C#N)c1C#N.
What is the InChIKey of 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile?
The InChIKey is GHDTWAPSMFSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-4-10-11(5-16)13(7-18)15(9(2)3)14(8-19)12(10)6-17/h4,9H,1H2,2-3H3.
What are the key properties of 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile?
3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile is sourced from PubChem (CID 166662907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).