4-amino-2-ethyliminobut-3-enamide

C6H11N3O — CID 147426933

IUPAC4-amino-2-ethyliminobut-3-enamide
SMILESCC/N=C(\C=CN)C(N)=O
InChIInChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3?,9-5+
InChIKeyHZTVIPXRPVXXRI-TZQDUXOXSA-N
MW141.17 g/mol
LogP-0.60
Rot. Bonds3

About 4-amino-2-ethyliminobut-3-enamide

4-amino-2-ethyliminobut-3-enamide (PubChem CID 147426933) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-2-ethyliminobut-3-enamide.

Molecular Properties

Compound Name4-amino-2-ethyliminobut-3-enamide
PubChem CID147426933
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-amino-2-ethyliminobut-3-enamide
SMILESCC/N=C(\C=CN)C(N)=O
InChIInChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3?,9-5+
InChIKeyHZTVIPXRPVXXRI-TZQDUXOXSA-N
XLogP-0.60
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-ethyliminobut-3-enamide 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 4-amino-2-ethyliminobut-3-enamide?
The IUPAC name of 4-amino-2-ethyliminobut-3-enamide (CID 147426933) is 4-amino-2-ethyliminobut-3-enamide.
What is the SMILES notation for 4-amino-2-ethyliminobut-3-enamide?
The canonical SMILES for 4-amino-2-ethyliminobut-3-enamide is CC/N=C(\C=CN)C(N)=O.
What is the InChIKey of 4-amino-2-ethyliminobut-3-enamide?
The InChIKey is HZTVIPXRPVXXRI-TZQDUXOXSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3?,9-5+.
What are the key properties of 4-amino-2-ethyliminobut-3-enamide?
4-amino-2-ethyliminobut-3-enamide has a molecular weight of 141.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyliminobut-3-enamide is sourced from PubChem (CID 147426933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).