N-ethenyl-N'-ethylcarbamimidoyl chloride

C5H9ClN2 — CID 123544092

IUPACN-ethenyl-N'-ethylcarbamimidoyl chloride
SMILESC=CN/C(Cl)=N/CC
InChIInChI=1S/C5H9ClN2/c1-3-7-5(6)8-4-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyXTSVSCSCDXPEQP-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.33
Rot. Bonds2

About N-ethenyl-N'-ethylcarbamimidoyl chloride

N-ethenyl-N'-ethylcarbamimidoyl chloride (PubChem CID 123544092) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N-ethenyl-N'-ethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-ethenyl-N'-ethylcarbamimidoyl chloride
PubChem CID123544092
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN-ethenyl-N'-ethylcarbamimidoyl chloride
SMILESC=CN/C(Cl)=N/CC
InChIInChI=1S/C5H9ClN2/c1-3-7-5(6)8-4-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyXTSVSCSCDXPEQP-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.33
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'-ethylcarbamimidoyl chloride?
The IUPAC name of N-ethenyl-N'-ethylcarbamimidoyl chloride (CID 123544092) is N-ethenyl-N'-ethylcarbamimidoyl chloride.
What is the SMILES notation for N-ethenyl-N'-ethylcarbamimidoyl chloride?
The canonical SMILES for N-ethenyl-N'-ethylcarbamimidoyl chloride is C=CN/C(Cl)=N/CC.
What is the InChIKey of N-ethenyl-N'-ethylcarbamimidoyl chloride?
The InChIKey is XTSVSCSCDXPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3-7-5(6)8-4-2/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of N-ethenyl-N'-ethylcarbamimidoyl chloride?
N-ethenyl-N'-ethylcarbamimidoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-ethylcarbamimidoyl chloride is sourced from PubChem (CID 123544092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).