(Z)-4-imino-3-methylbut-2-enimidamide

C5H9N3 — CID 59089681

IUPAC(Z)-4-imino-3-methylbut-2-enimidamide
SMILES[H]/N=C(N)/C=C(C)\C=N\[H]
InChIInChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/b4-2-,6-3+
InChIKeyRFIOBIYHUACARZ-MDNDHVJUSA-N
MW111.15 g/mol
LogP0.52
Rot. Bonds2

About (Z)-4-imino-3-methylbut-2-enimidamide

(Z)-4-imino-3-methylbut-2-enimidamide (PubChem CID 59089681) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (Z)-4-imino-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-imino-3-methylbut-2-enimidamide
PubChem CID59089681
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(Z)-4-imino-3-methylbut-2-enimidamide
SMILES[H]/N=C(N)/C=C(C)\C=N\[H]
InChIInChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/b4-2-,6-3+
InChIKeyRFIOBIYHUACARZ-MDNDHVJUSA-N
XLogP0.52
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-4-imino-3-methylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-methylbut-2-enimidamide?
The IUPAC name of (Z)-4-imino-3-methylbut-2-enimidamide (CID 59089681) is (Z)-4-imino-3-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-4-imino-3-methylbut-2-enimidamide?
The canonical SMILES for (Z)-4-imino-3-methylbut-2-enimidamide is [H]/N=C(N)/C=C(C)\C=N\[H].
What is the InChIKey of (Z)-4-imino-3-methylbut-2-enimidamide?
The InChIKey is RFIOBIYHUACARZ-MDNDHVJUSA-N. The full InChI is InChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/b4-2-,6-3+.
What are the key properties of (Z)-4-imino-3-methylbut-2-enimidamide?
(Z)-4-imino-3-methylbut-2-enimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-methylbut-2-enimidamide is sourced from PubChem (CID 59089681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).