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

C7H9Cl2N — CID 145319208

IUPAC(1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N\C(Cl)=C/C
InChIInChI=1S/C7H9Cl2N/c1-4-6(8)10-7(9)5(2)3/h4H,2H2,1,3H3/b6-4-,10-7+
InChIKeyZTIMLUJVDAYGQW-BSAFSDHNSA-N
MW178.06 g/mol
LogP3.30
Rot. Bonds2

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

(1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride (PubChem CID 145319208) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name(1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride
PubChem CID145319208
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name(1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N\C(Cl)=C/C
InChIInChI=1S/C7H9Cl2N/c1-4-6(8)10-7(9)5(2)3/h4H,2H2,1,3H3/b6-4-,10-7+
InChIKeyZTIMLUJVDAYGQW-BSAFSDHNSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 53.30
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]-2-methylprop-2-enimidoyl chloride?
The IUPAC name of (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride (CID 145319208) is (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride.
What is the SMILES notation for (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride?
The canonical SMILES for (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride is C=C(C)/C(Cl)=N\C(Cl)=C/C.
What is the InChIKey of (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride?
The InChIKey is ZTIMLUJVDAYGQW-BSAFSDHNSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-4-6(8)10-7(9)5(2)3/h4H,2H2,1,3H3/b6-4-,10-7+.
What are the key properties of (1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride?
(1E)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-enimidoyl chloride has a molecular weight of 178.06 g/mol, XLogP of 3.30, 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]-2-methylprop-2-enimidoyl chloride is sourced from PubChem (CID 145319208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).