N-(4-hydroxyphenyl)-4-oxobut-2-enamide

C10H9NO3 — CID 54364217

IUPACN-(4-hydroxyphenyl)-4-oxobut-2-enamide
SMILESO=CC=CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H9NO3/c12-7-1-2-10(14)11-8-3-5-9(13)6-4-8/h1-7,13H,(H,11,14)
InChIKeyUOPXIQPCAQGCRJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.09
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-oxobut-2-enamide

N-(4-hydroxyphenyl)-4-oxobut-2-enamide (PubChem CID 54364217) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-oxobut-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-oxobut-2-enamide
PubChem CID54364217
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-(4-hydroxyphenyl)-4-oxobut-2-enamide
SMILESO=CC=CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H9NO3/c12-7-1-2-10(14)11-8-3-5-9(13)6-4-8/h1-7,13H,(H,11,14)
InChIKeyUOPXIQPCAQGCRJ-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-oxobut-2-enamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-oxobut-2-enamide (CID 54364217) is N-(4-hydroxyphenyl)-4-oxobut-2-enamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-oxobut-2-enamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-oxobut-2-enamide is O=CC=CC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-oxobut-2-enamide?
The InChIKey is UOPXIQPCAQGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-1-2-10(14)11-8-3-5-9(13)6-4-8/h1-7,13H,(H,11,14).
What are the key properties of N-(4-hydroxyphenyl)-4-oxobut-2-enamide?
N-(4-hydroxyphenyl)-4-oxobut-2-enamide has a molecular weight of 191.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-oxobut-2-enamide is sourced from PubChem (CID 54364217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).