(1E)-N-(chloromethyl)methanimidoyl chloride

C2H3Cl2N — CID 58039371

IUPAC(1E)-N-(chloromethyl)methanimidoyl chloride
SMILESCl/C=N/CCl
InChIInChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2/b5-1+
InChIKeyLGXOFKJKUVFRKM-ORCRQEGFSA-N
MW111.96 g/mol
LogP1.45
Rot. Bonds1

About (1E)-N-(chloromethyl)methanimidoyl chloride

(1E)-N-(chloromethyl)methanimidoyl chloride (PubChem CID 58039371) has the molecular formula C2H3Cl2N and a molecular weight of 111.96 g/mol. Its IUPAC name is (1E)-N-(chloromethyl)methanimidoyl chloride.

Molecular Properties

Compound Name(1E)-N-(chloromethyl)methanimidoyl chloride
PubChem CID58039371
Molecular FormulaC2H3Cl2N
Molecular Weight111.96 g/mol
Exact Mass110.96
IUPAC Name(1E)-N-(chloromethyl)methanimidoyl chloride
SMILESCl/C=N/CCl
InChIInChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2/b5-1+
InChIKeyLGXOFKJKUVFRKM-ORCRQEGFSA-N
XLogP1.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.96
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)methanimidoyl chloride
CID 76670533
N'-(chloromethyl)-N-propylethane-1,2-diimine
CID 174011052
(E)-1,2-dichloroethene;dichloromethane
CID 18799064
(1E)-1,2-dichloro-3-(chloromethyl)buta-1,3-diene
CID 13213505
methyl N-(2-chloroethyl)methanimidate
CID 54506744
N-(penta-1,3-dienoxymethyliminomethyl)methanimidoyl chloride
CID 129317623
(1E,5E)-1,7-dichlorohepta-1,5-diene
CID 55303187
2-chloro-N-(2-chloroethyl)ethanimine
CID 22094706
3-chloroprop-1-enyl-λ2-stannane
CID 174602805
1,3-dichloroprop-1-ene;prop-2-en-1-ol
CID 174971735
1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
CID 18186137
methyl N-(2-aminoethyl)methanimidate
CID 20735797

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(chloromethyl)methanimidoyl chloride?
The IUPAC name of (1E)-N-(chloromethyl)methanimidoyl chloride (CID 58039371) is (1E)-N-(chloromethyl)methanimidoyl chloride.
What is the SMILES notation for (1E)-N-(chloromethyl)methanimidoyl chloride?
The canonical SMILES for (1E)-N-(chloromethyl)methanimidoyl chloride is Cl/C=N/CCl.
What is the InChIKey of (1E)-N-(chloromethyl)methanimidoyl chloride?
The InChIKey is LGXOFKJKUVFRKM-ORCRQEGFSA-N. The full InChI is InChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2/b5-1+.
What are the key properties of (1E)-N-(chloromethyl)methanimidoyl chloride?
(1E)-N-(chloromethyl)methanimidoyl chloride has a molecular weight of 111.96 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(chloromethyl)methanimidoyl chloride is sourced from PubChem (CID 58039371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).