(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide

C8H9N3O2 — CID 6878790

IUPAC(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(/C=N/O)NCc1cccnc1
InChIInChI=1S/C8H9N3O2/c12-8(6-11-13)10-5-7-2-1-3-9-4-7/h1-4,6,13H,5H2,(H,10,12)/b11-6+
InChIKeyHTIOSPKZUJJTTG-IZZDOVSWSA-N
MW179.18 g/mol
LogP0.16
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide

(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 6878790) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide
PubChem CID6878790
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(/C=N/O)NCc1cccnc1
InChIInChI=1S/C8H9N3O2/c12-8(6-11-13)10-5-7-2-1-3-9-4-7/h1-4,6,13H,5H2,(H,10,12)/b11-6+
InChIKeyHTIOSPKZUJJTTG-IZZDOVSWSA-N
XLogP0.16
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide (CID 6878790) is (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide is O=C(/C=N/O)NCc1cccnc1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HTIOSPKZUJJTTG-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-8(6-11-13)10-5-7-2-1-3-9-4-7/h1-4,6,13H,5H2,(H,10,12)/b11-6+.
What are the key properties of (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide?
(2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 179.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 6878790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).