2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C10H9N3O2 — CID 135455293

IUPAC2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H9N3O2/c11-6-5-10(15)13-12-7-8-3-1-2-4-9(8)14/h1-4,7,14H,5H2,(H,13,15)/b12-7+
InChIKeyXOXSBMJOOGFSSZ-KPKJPENVSA-N
MW203.20 g/mol
LogP0.76
Rot. Bonds3

About 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135455293) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135455293
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H9N3O2/c11-6-5-10(15)13-12-7-8-3-1-2-4-9(8)14/h1-4,7,14H,5H2,(H,13,15)/b12-7+
InChIKeyXOXSBMJOOGFSSZ-KPKJPENVSA-N
XLogP0.76
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide 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 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135455293) is 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is N#CCC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is XOXSBMJOOGFSSZ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-6-5-10(15)13-12-7-8-3-1-2-4-9(8)14/h1-4,7,14H,5H2,(H,13,15)/b12-7+.
What are the key properties of 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 203.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135455293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).