(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide

C7H7NO2S — CID 53374727

IUPAC(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NO
InChIInChI=1S/C7H7NO2S/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9)/b4-3+
InChIKeyIAANTMABIDHUHI-ONEGZZNKSA-N
MW169.20 g/mol
LogP1.27
Rot. Bonds2

About (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide

(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide (PubChem CID 53374727) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide
PubChem CID53374727
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NO
InChIInChI=1S/C7H7NO2S/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9)/b4-3+
InChIKeyIAANTMABIDHUHI-ONEGZZNKSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide (CID 53374727) is (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NO.
What is the InChIKey of (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IAANTMABIDHUHI-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9)/b4-3+.
What are the key properties of (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide?
(E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide has a molecular weight of 169.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 53374727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).