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

C8H8N2O2 — CID 44819899

IUPAC(E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NO
InChIInChI=1S/C8H8N2O2/c11-8(10-12)4-3-7-2-1-5-9-6-7/h1-6,12H,(H,10,11)/b4-3+
InChIKeyPUSXCHADPRFLCE-ONEGZZNKSA-N
MW164.16 g/mol
LogP0.60
Rot. Bonds2

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

(E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide (PubChem CID 44819899) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide
PubChem CID44819899
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NO
InChIInChI=1S/C8H8N2O2/c11-8(10-12)4-3-7-2-1-5-9-6-7/h1-6,12H,(H,10,11)/b4-3+
InChIKeyPUSXCHADPRFLCE-ONEGZZNKSA-N
XLogP0.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.60
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-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide (CID 44819899) is (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide?
The InChIKey is PUSXCHADPRFLCE-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(10-12)4-3-7-2-1-5-9-6-7/h1-6,12H,(H,10,11)/b4-3+.
What are the key properties of (E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide?
(E)-N-hydroxy-3-pyridin-3-ylprop-2-enamide has a molecular weight of 164.16 g/mol, XLogP of 0.60, 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-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 44819899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).