N-ethenyl-N'-methylcarbamimidoyl chloride

C4H7ClN2 — CID 91207286

IUPACN-ethenyl-N'-methylcarbamimidoyl chloride
SMILESC=CN/C(Cl)=N/C
InChIInChI=1S/C4H7ClN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7)
InChIKeyFJVMLRKHWUAASA-UHFFFAOYSA-N
MW118.57 g/mol
LogP0.94
Rot. Bonds1

About N-ethenyl-N'-methylcarbamimidoyl chloride

N-ethenyl-N'-methylcarbamimidoyl chloride (PubChem CID 91207286) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is N-ethenyl-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-ethenyl-N'-methylcarbamimidoyl chloride
PubChem CID91207286
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC NameN-ethenyl-N'-methylcarbamimidoyl chloride
SMILESC=CN/C(Cl)=N/C
InChIInChI=1S/C4H7ClN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7)
InChIKeyFJVMLRKHWUAASA-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.94
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-ethenyl-N'-methylcarbamimidoyl chloride?
The IUPAC name of N-ethenyl-N'-methylcarbamimidoyl chloride (CID 91207286) is N-ethenyl-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for N-ethenyl-N'-methylcarbamimidoyl chloride?
The canonical SMILES for N-ethenyl-N'-methylcarbamimidoyl chloride is C=CN/C(Cl)=N/C.
What is the InChIKey of N-ethenyl-N'-methylcarbamimidoyl chloride?
The InChIKey is FJVMLRKHWUAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H,6,7).
What are the key properties of N-ethenyl-N'-methylcarbamimidoyl chloride?
N-ethenyl-N'-methylcarbamimidoyl chloride has a molecular weight of 118.57 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 91207286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).