3-chloro-N-methylbut-2-enimidoyl chloride

C5H7Cl2N — CID 123339450

IUPAC3-chloro-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=C(C)Cl
InChIInChI=1S/C5H7Cl2N/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3?,8-5-
InChIKeyJMJLGTQPBMNNST-AMXUULGZSA-N
MW152.02 g/mol
LogP2.40
Rot. Bonds1

About 3-chloro-N-methylbut-2-enimidoyl chloride

3-chloro-N-methylbut-2-enimidoyl chloride (PubChem CID 123339450) has the molecular formula C5H7Cl2N and a molecular weight of 152.02 g/mol. Its IUPAC name is 3-chloro-N-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name3-chloro-N-methylbut-2-enimidoyl chloride
PubChem CID123339450
Molecular FormulaC5H7Cl2N
Molecular Weight152.02 g/mol
Exact Mass151.00
IUPAC Name3-chloro-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=C(C)Cl
InChIInChI=1S/C5H7Cl2N/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3?,8-5-
InChIKeyJMJLGTQPBMNNST-AMXUULGZSA-N
XLogP2.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.02
LogP ≤ 52.40
H-Bond Donors ≤ 50
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 3-chloro-N-methylbut-2-enimidoyl chloride?
The IUPAC name of 3-chloro-N-methylbut-2-enimidoyl chloride (CID 123339450) is 3-chloro-N-methylbut-2-enimidoyl chloride.
What is the SMILES notation for 3-chloro-N-methylbut-2-enimidoyl chloride?
The canonical SMILES for 3-chloro-N-methylbut-2-enimidoyl chloride is C/N=C(\Cl)C=C(C)Cl.
What is the InChIKey of 3-chloro-N-methylbut-2-enimidoyl chloride?
The InChIKey is JMJLGTQPBMNNST-AMXUULGZSA-N. The full InChI is InChI=1S/C5H7Cl2N/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3?,8-5-.
What are the key properties of 3-chloro-N-methylbut-2-enimidoyl chloride?
3-chloro-N-methylbut-2-enimidoyl chloride has a molecular weight of 152.02 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 123339450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).