(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide

C9H11N3O2 — CID 17019744

IUPAC(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide
SMILESC/C(=N\O)C(=O)NCc1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,14H,6H2,1H3,(H,11,13)/b12-7+
InChIKeyWVORFKPUSXTJGQ-KPKJPENVSA-N
MW193.21 g/mol
LogP0.55
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide

(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 17019744) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide
PubChem CID17019744
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide
SMILESC/C(=N\O)C(=O)NCc1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,14H,6H2,1H3,(H,11,13)/b12-7+
InChIKeyWVORFKPUSXTJGQ-KPKJPENVSA-N
XLogP0.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.55
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-2-ylmethyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide (CID 17019744) is (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide is C/C(=N\O)C(=O)NCc1ccccn1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WVORFKPUSXTJGQ-KPKJPENVSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,14H,6H2,1H3,(H,11,13)/b12-7+.
What are the key properties of (2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide?
(2E)-2-hydroxyimino-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 193.21 g/mol, XLogP of 0.55, 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-2-ylmethyl)propanamide is sourced from PubChem (CID 17019744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).