N,N'-dimethylbut-2-enediimidoyl dichloride

C6H8Cl2N2 — CID 57301935

IUPACN,N'-dimethylbut-2-enediimidoyl dichloride
SMILESC/N=C(\Cl)C=C/C(Cl)=N/C
InChIInChI=1S/C6H8Cl2N2/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3?,9-5-,10-6-
InChIKeyWEHLXUQVJPFCNG-AVJRWCDASA-N
MW179.05 g/mol
LogP2.08
Rot. Bonds2

About N,N'-dimethylbut-2-enediimidoyl dichloride

N,N'-dimethylbut-2-enediimidoyl dichloride (PubChem CID 57301935) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is N,N'-dimethylbut-2-enediimidoyl dichloride.

Molecular Properties

Compound NameN,N'-dimethylbut-2-enediimidoyl dichloride
PubChem CID57301935
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC NameN,N'-dimethylbut-2-enediimidoyl dichloride
SMILESC/N=C(\Cl)C=C/C(Cl)=N/C
InChIInChI=1S/C6H8Cl2N2/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3?,9-5-,10-6-
InChIKeyWEHLXUQVJPFCNG-AVJRWCDASA-N
XLogP2.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylbut-2-enediimidoyl dichloride?
The IUPAC name of N,N'-dimethylbut-2-enediimidoyl dichloride (CID 57301935) is N,N'-dimethylbut-2-enediimidoyl dichloride.
What is the SMILES notation for N,N'-dimethylbut-2-enediimidoyl dichloride?
The canonical SMILES for N,N'-dimethylbut-2-enediimidoyl dichloride is C/N=C(\Cl)C=C/C(Cl)=N/C.
What is the InChIKey of N,N'-dimethylbut-2-enediimidoyl dichloride?
The InChIKey is WEHLXUQVJPFCNG-AVJRWCDASA-N. The full InChI is InChI=1S/C6H8Cl2N2/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3?,9-5-,10-6-.
What are the key properties of N,N'-dimethylbut-2-enediimidoyl dichloride?
N,N'-dimethylbut-2-enediimidoyl dichloride has a molecular weight of 179.05 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylbut-2-enediimidoyl dichloride is sourced from PubChem (CID 57301935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).