(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide

C9H10N2O3 — CID 174456156

IUPAC(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)/C(=N/O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O3/c1-10-9(13)8(11-14)6-2-4-7(12)5-3-6/h2-5,12,14H,1H3,(H,10,13)/b11-8+
InChIKeyWSQAHXXNBVLNFD-DHZHZOJOSA-N
MW194.19 g/mol
LogP0.32
Rot. Bonds2

About (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide

(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide (PubChem CID 174456156) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
PubChem CID174456156
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)/C(=N/O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O3/c1-10-9(13)8(11-14)6-2-4-7(12)5-3-6/h2-5,12,14H,1H3,(H,10,13)/b11-8+
InChIKeyWSQAHXXNBVLNFD-DHZHZOJOSA-N
XLogP0.32
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.32
H-Bond Donors ≤ 53
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'}

Analyze (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide (CID 174456156) is (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide is CNC(=O)/C(=N/O)c1ccc(O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide?
The InChIKey is WSQAHXXNBVLNFD-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-9(13)8(11-14)6-2-4-7(12)5-3-6/h2-5,12,14H,1H3,(H,10,13)/b11-8+.
What are the key properties of (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide?
(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide has a molecular weight of 194.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-(4-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 174456156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).