N'-ethenylprop-2-enimidamide

C5H8N2 — CID 23073048

IUPACN'-ethenylprop-2-enimidamide
SMILESC=C/N=C(/N)C=C
InChIInChI=1S/C5H8N2/c1-3-5(6)7-4-2/h3-4H,1-2H2,(H2,6,7)
InChIKeyQRQIQVILRJCIRN-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.67
Rot. Bonds2

About N'-ethenylprop-2-enimidamide

N'-ethenylprop-2-enimidamide (PubChem CID 23073048) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N'-ethenylprop-2-enimidamide.

Molecular Properties

Compound NameN'-ethenylprop-2-enimidamide
PubChem CID23073048
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN'-ethenylprop-2-enimidamide
SMILESC=C/N=C(/N)C=C
InChIInChI=1S/C5H8N2/c1-3-5(6)7-4-2/h3-4H,1-2H2,(H2,6,7)
InChIKeyQRQIQVILRJCIRN-UHFFFAOYSA-N
XLogP0.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.67
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?
The IUPAC name of N'-ethenylprop-2-enimidamide (CID 23073048) is N'-ethenylprop-2-enimidamide.
What is the SMILES notation for N'-ethenylprop-2-enimidamide?
The canonical SMILES for N'-ethenylprop-2-enimidamide is C=C/N=C(/N)C=C.
What is the InChIKey of N'-ethenylprop-2-enimidamide?
The InChIKey is QRQIQVILRJCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-5(6)7-4-2/h3-4H,1-2H2,(H2,6,7).
What are the key properties of N'-ethenylprop-2-enimidamide?
N'-ethenylprop-2-enimidamide has a molecular weight of 96.13 g/mol, XLogP of 0.67, 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 is sourced from PubChem (CID 23073048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).