N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride

C5H8BrClN2 — CID 174002011

IUPACN'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride
SMILESC=CNC(Cl)=NC(C)Br
InChIInChI=1S/C5H8BrClN2/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3,(H,8,9)
InChIKeyIUCASVMSZRKMEE-UHFFFAOYSA-N
MW211.49 g/mol
LogP2.06
Rot. Bonds2

About N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride

N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride (PubChem CID 174002011) has the molecular formula C5H8BrClN2 and a molecular weight of 211.49 g/mol. Its IUPAC name is N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride
PubChem CID174002011
Molecular FormulaC5H8BrClN2
Molecular Weight211.49 g/mol
Exact Mass209.96
IUPAC NameN'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride
SMILESC=CNC(Cl)=NC(C)Br
InChIInChI=1S/C5H8BrClN2/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3,(H,8,9)
InChIKeyIUCASVMSZRKMEE-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N'-methylcarbamimidoyl chloride
CID 91207286
N-ethenyl-N'-ethylcarbamimidoyl chloride
CID 123544092
N-ethenyl-N'-methylcarbamimidoyl bromide
CID 142529780

Frequently Asked Questions

What is the IUPAC name of N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride?
The IUPAC name of N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride (CID 174002011) is N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride.
What is the SMILES notation for N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride?
The canonical SMILES for N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride is C=CNC(Cl)=NC(C)Br.
What is the InChIKey of N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride?
The InChIKey is IUCASVMSZRKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrClN2/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3,(H,8,9).
What are the key properties of N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride?
N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride has a molecular weight of 211.49 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride is sourced from PubChem (CID 174002011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).