N'-ethenylprop-2-enimidamide;hydrochloride

C5H9ClN2 — CID 87403639

IUPACN'-ethenylprop-2-enimidamide;hydrochloride
SMILESC=C/N=C(/N)C=C.Cl
InChIInChI=1S/C5H8N2.ClH/c1-3-5(6)7-4-2;/h3-4H,1-2H2,(H2,6,7);1H
InChIKeyKWQCSIPJQQXVEQ-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.09
Rot. Bonds2

About N'-ethenylprop-2-enimidamide;hydrochloride

N'-ethenylprop-2-enimidamide;hydrochloride (PubChem CID 87403639) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N'-ethenylprop-2-enimidamide;hydrochloride.

Molecular Properties

Compound NameN'-ethenylprop-2-enimidamide;hydrochloride
PubChem CID87403639
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN'-ethenylprop-2-enimidamide;hydrochloride
SMILESC=C/N=C(/N)C=C.Cl
InChIInChI=1S/C5H8N2.ClH/c1-3-5(6)7-4-2;/h3-4H,1-2H2,(H2,6,7);1H
InChIKeyKWQCSIPJQQXVEQ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenylprop-2-enimidamide;hydrochloride?
The IUPAC name of N'-ethenylprop-2-enimidamide;hydrochloride (CID 87403639) is N'-ethenylprop-2-enimidamide;hydrochloride.
What is the SMILES notation for N'-ethenylprop-2-enimidamide;hydrochloride?
The canonical SMILES for N'-ethenylprop-2-enimidamide;hydrochloride is C=C/N=C(/N)C=C.Cl.
What is the InChIKey of N'-ethenylprop-2-enimidamide;hydrochloride?
The InChIKey is KWQCSIPJQQXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-3-5(6)7-4-2;/h3-4H,1-2H2,(H2,6,7);1H.
What are the key properties of N'-ethenylprop-2-enimidamide;hydrochloride?
N'-ethenylprop-2-enimidamide;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenylprop-2-enimidamide;hydrochloride is sourced from PubChem (CID 87403639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).