(Z)-N'-methanimidoylbut-2-enimidamide

C5H9N3 — CID 89266194

IUPAC(Z)-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C=C\C
InChIInChI=1S/C5H9N3/c1-2-3-5(7)8-4-6/h2-4H,1H3,(H3,6,7,8)/b3-2-
InChIKeyLOKTUSPMXOJURT-IHWYPQMZSA-N
MW111.15 g/mol
LogP0.53
Rot. Bonds2

About (Z)-N'-methanimidoylbut-2-enimidamide

(Z)-N'-methanimidoylbut-2-enimidamide (PubChem CID 89266194) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (Z)-N'-methanimidoylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methanimidoylbut-2-enimidamide
PubChem CID89266194
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(Z)-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C=C\C
InChIInChI=1S/C5H9N3/c1-2-3-5(7)8-4-6/h2-4H,1H3,(H3,6,7,8)/b3-2-
InChIKeyLOKTUSPMXOJURT-IHWYPQMZSA-N
XLogP0.53
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 (Z)-N'-methanimidoylbut-2-enimidamide?
The IUPAC name of (Z)-N'-methanimidoylbut-2-enimidamide (CID 89266194) is (Z)-N'-methanimidoylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-methanimidoylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-methanimidoylbut-2-enimidamide is [H]/N=C/N=C(N)/C=C\C.
What is the InChIKey of (Z)-N'-methanimidoylbut-2-enimidamide?
The InChIKey is LOKTUSPMXOJURT-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-5(7)8-4-6/h2-4H,1H3,(H3,6,7,8)/b3-2-.
What are the key properties of (Z)-N'-methanimidoylbut-2-enimidamide?
(Z)-N'-methanimidoylbut-2-enimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methanimidoylbut-2-enimidamide is sourced from PubChem (CID 89266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).