2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol

C9H11N3O3 — CID 135520025

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
SMILESCN(C)/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H11N3O3/c1-11(2)10-6-7-5-8(12(14)15)3-4-9(7)13/h3-6,13H,1-2H3/b10-6+
InChIKeyAQJFDRVAPPBQNG-UXBLZVDNSA-N
MW209.21 g/mol
LogP1.20
Rot. Bonds3

About 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol

2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol (PubChem CID 135520025) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
PubChem CID135520025
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
SMILESCN(C)/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H11N3O3/c1-11(2)10-6-7-5-8(12(14)15)3-4-9(7)13/h3-6,13H,1-2H3/b10-6+
InChIKeyAQJFDRVAPPBQNG-UXBLZVDNSA-N
XLogP1.20
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-nitrophenol
CID 7442
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
2-Allyl-4-nitrophenol
CID 258439
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
2-((Ethylamino)methyl)-4-nitrophenol
CID 94665
Hydrazinecarbothioamide, 2-[(2-hydroxy-5-nitrophenyl)methylene]-
CID 3111530
2-(1-Azepanylmethyl)-4-nitrophenol
CID 782877
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-4-nitrophenol
CID 135504465
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol (CID 135520025) is 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol is CN(C)/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol?
The InChIKey is AQJFDRVAPPBQNG-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11(2)10-6-7-5-8(12(14)15)3-4-9(7)13/h3-6,13H,1-2H3/b10-6+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol?
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol has a molecular weight of 209.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol is sourced from PubChem (CID 135520025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).