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

C6H8N2 — CID 89166309

IUPAC(Z)-N'-ethynylbut-2-enimidamide
SMILESC#C/N=C(N)/C=C\C
InChIInChI=1S/C6H8N2/c1-3-5-6(7)8-4-2/h2-3,5H,1H3,(H2,7,8)/b5-3-
InChIKeyNYAJZRFXWVCAPG-HYXAFXHYSA-N
MW108.14 g/mol
LogP0.51
Rot. Bonds1

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

(Z)-N'-ethynylbut-2-enimidamide (PubChem CID 89166309) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (Z)-N'-ethynylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethynylbut-2-enimidamide
PubChem CID89166309
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(Z)-N'-ethynylbut-2-enimidamide
SMILESC#C/N=C(N)/C=C\C
InChIInChI=1S/C6H8N2/c1-3-5-6(7)8-4-2/h2-3,5H,1H3,(H2,7,8)/b5-3-
InChIKeyNYAJZRFXWVCAPG-HYXAFXHYSA-N
XLogP0.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-(1-fluoroethyl)but-2-enimidamide
CID 163829755
(Z)-N'-methylbut-2-enimidamide
CID 57611968
N'-methylprop-2-enimidamide
CID 58774648
(2Z)-N'-methylhexa-2,4-dienimidamide
CID 89017380
(Z)-N'-methanimidoylbut-2-enimidamide
CID 89266194
(2Z)-N'-methylhexa-2,4,5-trienimidamide
CID 123347342
(E)-N'-carbamimidoylbut-2-enimidamide
CID 123689049
(Z)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 124005322
(E)-N'-ethylbut-2-enimidamide
CID 124181986
(2Z)-N'-methylpenta-2,4-dienimidamide
CID 134342425
(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide
CID 134512819
(2Z,4Z)-N'-methylhexa-2,4-dienimidamide
CID 137508577

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethynylbut-2-enimidamide?
The IUPAC name of (Z)-N'-ethynylbut-2-enimidamide (CID 89166309) is (Z)-N'-ethynylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethynylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-ethynylbut-2-enimidamide is C#C/N=C(N)/C=C\C.
What is the InChIKey of (Z)-N'-ethynylbut-2-enimidamide?
The InChIKey is NYAJZRFXWVCAPG-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-5-6(7)8-4-2/h2-3,5H,1H3,(H2,7,8)/b5-3-.
What are the key properties of (Z)-N'-ethynylbut-2-enimidamide?
(Z)-N'-ethynylbut-2-enimidamide has a molecular weight of 108.14 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethynylbut-2-enimidamide is sourced from PubChem (CID 89166309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).