(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride

C6H7Cl2N — CID 143520503

IUPAC(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N\C(Cl)=C/C
InChIInChI=1S/C6H7Cl2N/c1-3-5(7)9-6(8)4-2/h3-4H,1H2,2H3/b6-4-,9-5+
InChIKeyKNEZYHVGXJRNRO-QUNSIMLLSA-N
MW164.03 g/mol
LogP2.91
Rot. Bonds2

About (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride

(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride (PubChem CID 143520503) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride
PubChem CID143520503
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N\C(Cl)=C/C
InChIInChI=1S/C6H7Cl2N/c1-3-5(7)9-6(8)4-2/h3-4H,1H2,2H3/b6-4-,9-5+
InChIKeyKNEZYHVGXJRNRO-QUNSIMLLSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.91
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)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride?
The IUPAC name of (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride (CID 143520503) is (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride.
What is the SMILES notation for (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride?
The canonical SMILES for (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride is C=C/C(Cl)=N\C(Cl)=C/C.
What is the InChIKey of (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride?
The InChIKey is KNEZYHVGXJRNRO-QUNSIMLLSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-3-5(7)9-6(8)4-2/h3-4H,1H2,2H3/b6-4-,9-5+.
What are the key properties of (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride?
(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride has a molecular weight of 164.03 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride is sourced from PubChem (CID 143520503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).