(E)-2,4-dichlorohex-4-en-3-imine

C6H9Cl2N — CID 123912179

IUPAC(E)-2,4-dichlorohex-4-en-3-imine
SMILES[H]/N=C(C(/Cl)=C\C)\C(C)Cl
InChIInChI=1S/C6H9Cl2N/c1-3-5(8)6(9)4(2)7/h3-4,9H,1-2H3/b5-3+,9-6+
InChIKeyCLKHKALJTCZHDY-USXIXMCRSA-N
MW166.05 g/mol
LogP2.78
Rot. Bonds2

About (E)-2,4-dichlorohex-4-en-3-imine

(E)-2,4-dichlorohex-4-en-3-imine (PubChem CID 123912179) has the molecular formula C6H9Cl2N and a molecular weight of 166.05 g/mol. Its IUPAC name is (E)-2,4-dichlorohex-4-en-3-imine.

Molecular Properties

Compound Name(E)-2,4-dichlorohex-4-en-3-imine
PubChem CID123912179
Molecular FormulaC6H9Cl2N
Molecular Weight166.05 g/mol
Exact Mass165.01
IUPAC Name(E)-2,4-dichlorohex-4-en-3-imine
SMILES[H]/N=C(C(/Cl)=C\C)\C(C)Cl
InChIInChI=1S/C6H9Cl2N/c1-3-5(8)6(9)4(2)7/h3-4,9H,1-2H3/b5-3+,9-6+
InChIKeyCLKHKALJTCZHDY-USXIXMCRSA-N
XLogP2.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-chlorohex-4-en-3-imine
CID 91021416
(Z)-1,5-dichlorohex-3-en-2-imine
CID 123172756
(E)-5-chlorohex-4-en-3-imine
CID 123373328
3,5-Dichlorocyclohepta-2,6-dien-1-imine
CID 123388895
3-Chlorohex-2-enimidoyl chloride
CID 123449524
(Z)-1-chloro-3-methylhex-3-en-2-imine
CID 123601961
(Z)-1-chloro-4-(chloromethyl)hept-4-en-2-imine
CID 173869140

Frequently Asked Questions

What is the IUPAC name of (E)-2,4-dichlorohex-4-en-3-imine?
The IUPAC name of (E)-2,4-dichlorohex-4-en-3-imine (CID 123912179) is (E)-2,4-dichlorohex-4-en-3-imine.
What is the SMILES notation for (E)-2,4-dichlorohex-4-en-3-imine?
The canonical SMILES for (E)-2,4-dichlorohex-4-en-3-imine is [H]/N=C(C(/Cl)=C\C)\C(C)Cl.
What is the InChIKey of (E)-2,4-dichlorohex-4-en-3-imine?
The InChIKey is CLKHKALJTCZHDY-USXIXMCRSA-N. The full InChI is InChI=1S/C6H9Cl2N/c1-3-5(8)6(9)4(2)7/h3-4,9H,1-2H3/b5-3+,9-6+.
What are the key properties of (E)-2,4-dichlorohex-4-en-3-imine?
(E)-2,4-dichlorohex-4-en-3-imine has a molecular weight of 166.05 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-dichlorohex-4-en-3-imine is sourced from PubChem (CID 123912179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).