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

C9H12N2O2 — CID 136786732

IUPAC4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
SMILESCN(C)/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)10-6-7-3-4-8(12)9(13)5-7/h3-6,12-13H,1-2H3/b10-6+
InChIKeyRXPIFISNLZMBBK-UXBLZVDNSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds2

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

4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 136786732) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID136786732
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
SMILESCN(C)/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)10-6-7-3-4-8(12)9(13)5-7/h3-6,12-13H,1-2H3/b10-6+
InChIKeyRXPIFISNLZMBBK-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_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

4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
CID 135532292
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
4-(pyrimidin-2-yliminomethyl)benzene-1,2-diol
CID 3473364

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol (CID 136786732) is 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol is CN(C)/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is RXPIFISNLZMBBK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)10-6-7-3-4-8(12)9(13)5-7/h3-6,12-13H,1-2H3/b10-6+.
What are the key properties of 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol?
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-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 4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 136786732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).