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

C9H10N2O2 — CID 135442996

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C9H10N2O2/c1-7(12)11-10-6-8-4-2-3-5-9(8)13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyWMMNITTVJHGRNL-UXBLZVDNSA-N
MW178.19 g/mol
LogP0.86
Rot. Bonds2

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135442996) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135442996
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C9H10N2O2/c1-7(12)11-10-6-8-4-2-3-5-9(8)13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyWMMNITTVJHGRNL-UXBLZVDNSA-N
XLogP0.86
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135442996) is N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WMMNITTVJHGRNL-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(12)11-10-6-8-4-2-3-5-9(8)13/h2-6,13H,1H3,(H,11,12)/b10-6+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 178.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135442996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).