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

C8H10N2O2 — CID 136786728

IUPAC4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
SMILESCN/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C8H10N2O2/c1-9-10-5-6-2-3-7(11)8(12)4-6/h2-5,9,11-12H,1H3/b10-5+
InChIKeyCYEBMANKJZRWOS-BJMVGYQFSA-N
MW166.18 g/mol
LogP0.65
Rot. Bonds2

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

4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 136786728) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID136786728
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
SMILESCN/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C8H10N2O2/c1-9-10-5-6-2-3-7(11)8(12)4-6/h2-5,9,11-12H,1H3/b10-5+
InChIKeyCYEBMANKJZRWOS-BJMVGYQFSA-N
XLogP0.65
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.65
H-Bond Donors ≤ 53
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

2-methyl-5-[(methylhydrazinylidene)methyl]phenol
CID 59043557
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135730861
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 162326957
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
1,2-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 172961336

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol (CID 136786728) is 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol is CN/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is CYEBMANKJZRWOS-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-10-5-6-2-3-7(11)8(12)4-6/h2-5,9,11-12H,1H3/b10-5+.
What are the key properties of 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol?
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 166.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 136786728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).