N'-ethenylcarbamimidoyl chloride

C3H5ClN2 — CID 123279356

IUPACN'-ethenylcarbamimidoyl chloride
SMILESC=C/N=C(/N)Cl
InChIInChI=1S/C3H5ClN2/c1-2-6-3(4)5/h2H,1H2,(H2,5,6)
InChIKeyROPDMGJLWOGICU-UHFFFAOYSA-N
MW104.54 g/mol
LogP0.68
Rot. Bonds1

About N'-ethenylcarbamimidoyl chloride

N'-ethenylcarbamimidoyl chloride (PubChem CID 123279356) has the molecular formula C3H5ClN2 and a molecular weight of 104.54 g/mol. Its IUPAC name is N'-ethenylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-ethenylcarbamimidoyl chloride
PubChem CID123279356
Molecular FormulaC3H5ClN2
Molecular Weight104.54 g/mol
Exact Mass104.01
IUPAC NameN'-ethenylcarbamimidoyl chloride
SMILESC=C/N=C(/N)Cl
InChIInChI=1S/C3H5ClN2/c1-2-6-3(4)5/h2H,1H2,(H2,5,6)
InChIKeyROPDMGJLWOGICU-UHFFFAOYSA-N
XLogP0.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenylcarbamimidoyl chloride?
The IUPAC name of N'-ethenylcarbamimidoyl chloride (CID 123279356) is N'-ethenylcarbamimidoyl chloride.
What is the SMILES notation for N'-ethenylcarbamimidoyl chloride?
The canonical SMILES for N'-ethenylcarbamimidoyl chloride is C=C/N=C(/N)Cl.
What is the InChIKey of N'-ethenylcarbamimidoyl chloride?
The InChIKey is ROPDMGJLWOGICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN2/c1-2-6-3(4)5/h2H,1H2,(H2,5,6).
What are the key properties of N'-ethenylcarbamimidoyl chloride?
N'-ethenylcarbamimidoyl chloride has a molecular weight of 104.54 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenylcarbamimidoyl chloride is sourced from PubChem (CID 123279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).