(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride

C5H4Cl3N — CID 145374334

IUPAC(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride
SMILESC=C(Cl)/N=C(/Cl)C(=C)Cl
InChIInChI=1S/C5H4Cl3N/c1-3(6)5(8)9-4(2)7/h1-2H2/b9-5+
InChIKeyQUWBZMXJEGJDIO-WEVVVXLNSA-N
MW184.45 g/mol
LogP3.09
Rot. Bonds2

About (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride

(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride (PubChem CID 145374334) has the molecular formula C5H4Cl3N and a molecular weight of 184.45 g/mol. Its IUPAC name is (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride
PubChem CID145374334
Molecular FormulaC5H4Cl3N
Molecular Weight184.45 g/mol
Exact Mass182.94
IUPAC Name(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride
SMILESC=C(Cl)/N=C(/Cl)C(=C)Cl
InChIInChI=1S/C5H4Cl3N/c1-3(6)5(8)9-4(2)7/h1-2H2/b9-5+
InChIKeyQUWBZMXJEGJDIO-WEVVVXLNSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The IUPAC name of (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride (CID 145374334) is (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride.
What is the SMILES notation for (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The canonical SMILES for (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride is C=C(Cl)/N=C(/Cl)C(=C)Cl.
What is the InChIKey of (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The InChIKey is QUWBZMXJEGJDIO-WEVVVXLNSA-N. The full InChI is InChI=1S/C5H4Cl3N/c1-3(6)5(8)9-4(2)7/h1-2H2/b9-5+.
What are the key properties of (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
(1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride has a molecular weight of 184.45 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 145374334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).