(2Z,4E)-5-acetamidopenta-2,4-dienoic acid

C7H9NO3 — CID 101397621

IUPAC(2Z,4E)-5-acetamidopenta-2,4-dienoic acid
SMILESCC(=O)N/C=C/C=C\C(=O)O
InChIInChI=1S/C7H9NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H,1H3,(H,8,9)(H,10,11)/b4-2-,5-3+
InChIKeyATCFSMIXPXHLJI-VOERYJCWSA-N
MW155.15 g/mol
LogP0.28
Rot. Bonds3

About (2Z,4E)-5-acetamidopenta-2,4-dienoic acid

(2Z,4E)-5-acetamidopenta-2,4-dienoic acid (PubChem CID 101397621) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2Z,4E)-5-acetamidopenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-acetamidopenta-2,4-dienoic acid
PubChem CID101397621
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2Z,4E)-5-acetamidopenta-2,4-dienoic acid
SMILESCC(=O)N/C=C/C=C\C(=O)O
InChIInChI=1S/C7H9NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H,1H3,(H,8,9)(H,10,11)/b4-2-,5-3+
InChIKeyATCFSMIXPXHLJI-VOERYJCWSA-N
XLogP0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-acetamidopenta-2,4-dienoic acid 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 (2Z,4E)-5-acetamidopenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-acetamidopenta-2,4-dienoic acid (CID 101397621) is (2Z,4E)-5-acetamidopenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-acetamidopenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-acetamidopenta-2,4-dienoic acid is CC(=O)N/C=C/C=C\C(=O)O.
What is the InChIKey of (2Z,4E)-5-acetamidopenta-2,4-dienoic acid?
The InChIKey is ATCFSMIXPXHLJI-VOERYJCWSA-N. The full InChI is InChI=1S/C7H9NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H,1H3,(H,8,9)(H,10,11)/b4-2-,5-3+.
What are the key properties of (2Z,4E)-5-acetamidopenta-2,4-dienoic acid?
(2Z,4E)-5-acetamidopenta-2,4-dienoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-acetamidopenta-2,4-dienoic acid is sourced from PubChem (CID 101397621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).