N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide

C9H10N2O3 — CID 90127167

IUPACN-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
SMILESC/C=N/NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C9H10N2O3/c1-2-10-11-9(14)6-3-4-7(12)8(13)5-6/h2-5,12-13H,1H3,(H,11,14)/b10-2+
InChIKeyDDFHITZEDYKJLB-WTDSWWLTSA-N
MW194.19 g/mol
LogP0.83
Rot. Bonds2

About N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide

N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide (PubChem CID 90127167) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
PubChem CID90127167
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
SMILESC/C=N/NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C9H10N2O3/c1-2-10-11-9(14)6-3-4-7(12)8(13)5-6/h2-5,12-13H,1H3,(H,11,14)/b10-2+
InChIKeyDDFHITZEDYKJLB-WTDSWWLTSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
CID 794492
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
3,4-dihydroxy-N-methoxybenzamide
CID 103956380
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572

Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide (CID 90127167) is N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide is C/C=N/NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide?
The InChIKey is DDFHITZEDYKJLB-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-10-11-9(14)6-3-4-7(12)8(13)5-6/h2-5,12-13H,1H3,(H,11,14)/b10-2+.
What are the key properties of N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide?
N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide has a molecular weight of 194.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide is sourced from PubChem (CID 90127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).