(Z)-4-formamido-4-oxobut-2-enoic acid

C5H5NO4 — CID 25188420

IUPAC(Z)-4-formamido-4-oxobut-2-enoic acid
SMILESO=CNC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
InChIKeyHSKSAKBZUITULZ-UPHRSURJSA-N
MW143.10 g/mol
LogP-1.10
Rot. Bonds3

About (Z)-4-formamido-4-oxobut-2-enoic acid

(Z)-4-formamido-4-oxobut-2-enoic acid (PubChem CID 25188420) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is (Z)-4-formamido-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-formamido-4-oxobut-2-enoic acid
PubChem CID25188420
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name(Z)-4-formamido-4-oxobut-2-enoic acid
SMILESO=CNC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
InChIKeyHSKSAKBZUITULZ-UPHRSURJSA-N
XLogP-1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-formamido-4-oxobut-2-enoic 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 (Z)-4-formamido-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-formamido-4-oxobut-2-enoic acid (CID 25188420) is (Z)-4-formamido-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-formamido-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-formamido-4-oxobut-2-enoic acid is O=CNC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-formamido-4-oxobut-2-enoic acid?
The InChIKey is HSKSAKBZUITULZ-UPHRSURJSA-N. The full InChI is InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-.
What are the key properties of (Z)-4-formamido-4-oxobut-2-enoic acid?
(Z)-4-formamido-4-oxobut-2-enoic acid has a molecular weight of 143.10 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-formamido-4-oxobut-2-enoic acid is sourced from PubChem (CID 25188420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).