2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile

C12H12N2 — CID 11052318

IUPAC2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile
SMILESCc1c(C)c(C#N)c(C)c(C)c1C#N
InChIInChI=1S/C12H12N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h1-4H3
InChIKeyQXZOTYQXMMTSQB-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.66
Rot. Bonds

About 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile

2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile (PubChem CID 11052318) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile
PubChem CID11052318
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile
SMILESCc1c(C)c(C#N)c(C)c(C)c1C#N
InChIInChI=1S/C12H12N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h1-4H3
InChIKeyQXZOTYQXMMTSQB-UHFFFAOYSA-N
XLogP2.66
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile (CID 11052318) is 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile is Cc1c(C)c(C#N)c(C)c(C)c1C#N.
What is the InChIKey of 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile?
The InChIKey is QXZOTYQXMMTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h1-4H3.
What are the key properties of 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile?
2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 11052318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).