N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide

C9H10N2O4 — CID 135435759

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H10N2O4/c12-5-9(15)11-10-4-6-1-2-7(13)8(14)3-6/h1-4,12-14H,5H2,(H,11,15)/b10-4+
InChIKeyYRGNNRUZRCBPLM-ONNFQVAWSA-N
MW210.19 g/mol
LogP-0.46
Rot. Bonds3

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 135435759) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID135435759
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H10N2O4/c12-5-9(15)11-10-4-6-1-2-7(13)8(14)3-6/h1-4,12-14H,5H2,(H,11,15)/b10-4+
InChIKeyYRGNNRUZRCBPLM-ONNFQVAWSA-N
XLogP-0.46
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 137045313
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135614205
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
CID 4174508
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide (CID 135435759) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is YRGNNRUZRCBPLM-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-5-9(15)11-10-4-6-1-2-7(13)8(14)3-6/h1-4,12-14H,5H2,(H,11,15)/b10-4+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 210.19 g/mol, XLogP of -0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 135435759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).