(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide

C8H9N3O — CID 123649043

IUPAC(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide
SMILES[H]/N=C(C)/C(=C\C(=C)C#N)C(N)=O
InChIInChI=1S/C8H9N3O/c1-5(4-9)3-7(6(2)10)8(11)12/h3,10H,1H2,2H3,(H2,11,12)/b7-3+,10-6+
InChIKeyUZBCRWQIYRYZNA-ASVGJQBISA-N
MW163.18 g/mol
LogP0.52
Rot. Bonds3

About (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide

(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide (PubChem CID 123649043) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide
PubChem CID123649043
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide
SMILES[H]/N=C(C)/C(=C\C(=C)C#N)C(N)=O
InChIInChI=1S/C8H9N3O/c1-5(4-9)3-7(6(2)10)8(11)12/h3,10H,1H2,2H3,(H2,11,12)/b7-3+,10-6+
InChIKeyUZBCRWQIYRYZNA-ASVGJQBISA-N
XLogP0.52
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
CID 123637841
(Z,2E)-2-ethylidene-5-iminohex-3-enamide
CID 87419522
(Z,2E)-2-ethylidene-3-iminohex-4-enamide
CID 90756731
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
(2E)-4-cyano-2-(C-ethyl-N-methylcarbonimidoyl)penta-2,4-dienamide
CID 123630492
(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
CID 142229752
6-Ethyl-5-methylidene-2-oxopyridine-3-carbonitrile
CID 178185866

Frequently Asked Questions

What is the IUPAC name of (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide (CID 123649043) is (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide is [H]/N=C(C)/C(=C\C(=C)C#N)C(N)=O.
What is the InChIKey of (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide?
The InChIKey is UZBCRWQIYRYZNA-ASVGJQBISA-N. The full InChI is InChI=1S/C8H9N3O/c1-5(4-9)3-7(6(2)10)8(11)12/h3,10H,1H2,2H3,(H2,11,12)/b7-3+,10-6+.
What are the key properties of (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide?
(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide has a molecular weight of 163.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide is sourced from PubChem (CID 123649043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).