N'-but-1-en-2-ylcarbamimidoyl chloride

C5H9ClN2 — CID 166806938

IUPACN'-but-1-en-2-ylcarbamimidoyl chloride
SMILESC=C(CC)/N=C(/N)Cl
InChIInChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h2-3H2,1H3,(H2,7,8)
InChIKeySVUWFRAJRBRLRL-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.46
Rot. Bonds2

About N'-but-1-en-2-ylcarbamimidoyl chloride

N'-but-1-en-2-ylcarbamimidoyl chloride (PubChem CID 166806938) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N'-but-1-en-2-ylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-but-1-en-2-ylcarbamimidoyl chloride
PubChem CID166806938
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN'-but-1-en-2-ylcarbamimidoyl chloride
SMILESC=C(CC)/N=C(/N)Cl
InChIInChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h2-3H2,1H3,(H2,7,8)
InChIKeySVUWFRAJRBRLRL-UHFFFAOYSA-N
XLogP1.46
TPSA38.38 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 ≤ 51.46
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'-but-1-en-2-ylcarbamimidoyl chloride?
The IUPAC name of N'-but-1-en-2-ylcarbamimidoyl chloride (CID 166806938) is N'-but-1-en-2-ylcarbamimidoyl chloride.
What is the SMILES notation for N'-but-1-en-2-ylcarbamimidoyl chloride?
The canonical SMILES for N'-but-1-en-2-ylcarbamimidoyl chloride is C=C(CC)/N=C(/N)Cl.
What is the InChIKey of N'-but-1-en-2-ylcarbamimidoyl chloride?
The InChIKey is SVUWFRAJRBRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h2-3H2,1H3,(H2,7,8).
What are the key properties of N'-but-1-en-2-ylcarbamimidoyl chloride?
N'-but-1-en-2-ylcarbamimidoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-ylcarbamimidoyl chloride is sourced from PubChem (CID 166806938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).