N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

C9H10N2O4 — CID 154635738

IUPACN-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1ccc(O)c(O)c1O
InChIInChI=1S/C9H10N2O4/c1-5(12)11-10-4-6-2-3-7(13)9(15)8(6)14/h2-4,13-15H,1H3,(H,11,12)
InChIKeyGIEOWWJWHRGJHH-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.27
Rot. Bonds2

About N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (PubChem CID 154635738) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
PubChem CID154635738
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC NameN-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1ccc(O)c(O)c1O
InChIInChI=1S/C9H10N2O4/c1-5(12)11-10-4-6-2-3-7(13)9(15)8(6)14/h2-4,13-15H,1H3,(H,11,12)
InChIKeyGIEOWWJWHRGJHH-UHFFFAOYSA-N
XLogP0.27
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
N'-(3,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135543352
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444
3-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137283260
5-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137283387
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137283404
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (CID 154635738) is N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is CC(=O)NN=Cc1ccc(O)c(O)c1O.
What is the InChIKey of N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is GIEOWWJWHRGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5(12)11-10-4-6-2-3-7(13)9(15)8(6)14/h2-4,13-15H,1H3,(H,11,12).
What are the key properties of N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 210.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 154635738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).