2-(2-hydroxyethyl)-4-oxobut-2-enamide

C6H9NO3 — CID 174345481

IUPAC2-(2-hydroxyethyl)-4-oxobut-2-enamide
SMILESNC(=O)C(=CC=O)CCO
InChIInChI=1S/C6H9NO3/c7-6(10)5(1-3-8)2-4-9/h1,3,9H,2,4H2,(H2,7,10)
InChIKeyAJNVFZQBHUPHTA-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.02
Rot. Bonds4

About 2-(2-hydroxyethyl)-4-oxobut-2-enamide

2-(2-hydroxyethyl)-4-oxobut-2-enamide (PubChem CID 174345481) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-oxobut-2-enamide
PubChem CID174345481
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(2-hydroxyethyl)-4-oxobut-2-enamide
SMILESNC(=O)C(=CC=O)CCO
InChIInChI=1S/C6H9NO3/c7-6(10)5(1-3-8)2-4-9/h1,3,9H,2,4H2,(H2,7,10)
InChIKeyAJNVFZQBHUPHTA-UHFFFAOYSA-N
XLogP-1.02
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-oxobut-2-enamide?
The IUPAC name of 2-(2-hydroxyethyl)-4-oxobut-2-enamide (CID 174345481) is 2-(2-hydroxyethyl)-4-oxobut-2-enamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-oxobut-2-enamide?
The canonical SMILES for 2-(2-hydroxyethyl)-4-oxobut-2-enamide is NC(=O)C(=CC=O)CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4-oxobut-2-enamide?
The InChIKey is AJNVFZQBHUPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c7-6(10)5(1-3-8)2-4-9/h1,3,9H,2,4H2,(H2,7,10).
What are the key properties of 2-(2-hydroxyethyl)-4-oxobut-2-enamide?
2-(2-hydroxyethyl)-4-oxobut-2-enamide has a molecular weight of 143.14 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-oxobut-2-enamide is sourced from PubChem (CID 174345481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).