2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol

C9H12N2O2 — CID 135532292

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
SMILESCN(C)/N=C/c1cc(O)ccc1O
InChIInChI=1S/C9H12N2O2/c1-11(2)10-6-7-5-8(12)3-4-9(7)13/h3-6,12-13H,1-2H3/b10-6+
InChIKeyPMMXASGLAPXSIH-UXBLZVDNSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds2

About 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol

2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol (PubChem CID 135532292) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
PubChem CID135532292
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
SMILESCN(C)/N=C/c1cc(O)ccc1O
InChIInChI=1S/C9H12N2O2/c1-11(2)10-6-7-5-8(12)3-4-9(7)13/h3-6,12-13H,1-2H3/b10-6+
InChIKeyPMMXASGLAPXSIH-UXBLZVDNSA-N
XLogP0.99
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
2-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,4-diol
CID 136802639
methyl N'-[(2,5-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 137207506
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
2-[(E)-(dimethylhydrazinylidene)methyl]phenol;2-[(E)-hydrazinylidenemethyl]phenol;2-[(E)-(methylhydrazinylidene)methyl]phenol
CID 172938978
2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
CID 145071373
2-[(E)-but-1-enyl]benzene-1,4-diol
CID 19910488
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
1-[(2-hydroxyphenyl)methylideneamino]-1-methylthiourea
CID 137176391
2-[(E)-[1,3-benzothiazol-2-yl(penta-1,3-diynyl)hydrazinylidene]methyl]benzene-1,4-diol
CID 164706159

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol (CID 135532292) is 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol is CN(C)/N=C/c1cc(O)ccc1O.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol?
The InChIKey is PMMXASGLAPXSIH-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)10-6-7-5-8(12)3-4-9(7)13/h3-6,12-13H,1-2H3/b10-6+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol?
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol has a molecular weight of 180.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol is sourced from PubChem (CID 135532292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).