(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine

C10H9Cl2N — CID 141315845

IUPAC(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine
SMILES[H]/N=C(C)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6,13H,1H3/b6-5+,13-7+
InChIKeyDOJAALDIXHMJBN-WOXAVFRBSA-N
MW214.10 g/mol
LogP4.05
Rot. Bonds2

About (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine

(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine (PubChem CID 141315845) has the molecular formula C10H9Cl2N and a molecular weight of 214.10 g/mol. Its IUPAC name is (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine
PubChem CID141315845
Molecular FormulaC10H9Cl2N
Molecular Weight214.10 g/mol
Exact Mass213.01
IUPAC Name(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine
SMILES[H]/N=C(C)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6,13H,1H3/b6-5+,13-7+
InChIKeyDOJAALDIXHMJBN-WOXAVFRBSA-N
XLogP4.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine?
The IUPAC name of (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine (CID 141315845) is (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine.
What is the SMILES notation for (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine?
The canonical SMILES for (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine is [H]/N=C(C)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine?
The InChIKey is DOJAALDIXHMJBN-WOXAVFRBSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6,13H,1H3/b6-5+,13-7+.
What are the key properties of (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine?
(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine has a molecular weight of 214.10 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-dichlorophenyl)but-3-en-2-imine is sourced from PubChem (CID 141315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).