N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline

C10H9Cl3N2 — CID 529810

IUPACN-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
SMILESC=CC(C)=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2/c1-3-6(2)14-15-10-8(12)4-7(11)5-9(10)13/h3-5,15H,1H2,2H3
InChIKeyBJJTWQXFVOJVKR-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.62
Rot. Bonds3

About N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline

N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline (PubChem CID 529810) has the molecular formula C10H9Cl3N2 and a molecular weight of 263.56 g/mol. Its IUPAC name is N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline.

Molecular Properties

Compound NameN-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
PubChem CID529810
Molecular FormulaC10H9Cl3N2
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC NameN-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
SMILESC=CC(C)=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2/c1-3-6(2)14-15-10-8(12)4-7(11)5-9(10)13/h3-5,15H,1H2,2H3
InChIKeyBJJTWQXFVOJVKR-UHFFFAOYSA-N
XLogP4.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-Trichlorophenyl)hydrazine
CID 79234
Benzphenazone
CID 5360800
Propanedinitrile, ((2,4,6-trichlorophenyl)hydrazono)-
CID 199165
(2,6-Dichlorophenyl)hydrazine monohydrochloride
CID 2723909
Propanedinitrile, ((2,4-dichlorophenyl)hydrazono)-
CID 199119
(2,6-Dichlorophenyl)hydrazine
CID 84634
2-chloro-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]aniline
CID 9782757
Acetone, 2,4,6-trichlorophenyl hydrazone
CID 529812
Triazene, 3-methyl-1-(2,4,6-trichlorophenyl)-
CID 149027
N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride
CID 33246
(2,4,6-Trichlorophenyl)hydrazine monohydrochloride
CID 3014122
(2,6-Dichloroanilino)azanium chloride
CID 2736046

Frequently Asked Questions

What is the IUPAC name of N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline?
The IUPAC name of N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline (CID 529810) is N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline.
What is the SMILES notation for N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline?
The canonical SMILES for N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline is C=CC(C)=NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline?
The InChIKey is BJJTWQXFVOJVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2/c1-3-6(2)14-15-10-8(12)4-7(11)5-9(10)13/h3-5,15H,1H2,2H3.
What are the key properties of N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline?
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline has a molecular weight of 263.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline is sourced from PubChem (CID 529810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).