4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane

C10H16N2O2 — CID 142933869

IUPAC4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane
SMILESC/C=N/c1cc(N)c(O)cc1O.CC
InChIInChI=1S/C8H10N2O2.C2H6/c1-2-10-6-3-5(9)7(11)4-8(6)12;1-2/h2-4,11-12H,9H2,1H3;1-2H3/b10-2+;
InChIKeyXOMWZLGVWRKZCE-JVSGEUHRSA-N
MW196.25 g/mol
LogP2.43
Rot. Bonds1

About 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane

4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane (PubChem CID 142933869) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane.

Molecular Properties

Compound Name4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane
PubChem CID142933869
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane
SMILESC/C=N/c1cc(N)c(O)cc1O.CC
InChIInChI=1S/C8H10N2O2.C2H6/c1-2-10-6-3-5(9)7(11)4-8(6)12;1-2/h2-4,11-12H,9H2,1H3;1-2H3/b10-2+;
InChIKeyXOMWZLGVWRKZCE-JVSGEUHRSA-N
XLogP2.43
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]diazenyl]benzene-1,3-diol
CID 167030744
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
2-amino-5-methylbenzene-1,4-diol
CID 14549398
3-ethenyl-4-(ethylideneamino)phenol
CID 144863689
4-amino-6-(aminomethyl)benzene-1,3-diol
CID 154288362
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline
CID 20783051
4-aminobicyclo[4.2.0]octa-1,3,5-trien-3-ol
CID 55290844
6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one
CID 15291328
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
2-amino-5-bromophenol;2-methylpropane
CID 143907828
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane?
The IUPAC name of 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane (CID 142933869) is 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane.
What is the SMILES notation for 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane?
The canonical SMILES for 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane is C/C=N/c1cc(N)c(O)cc1O.CC.
What is the InChIKey of 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane?
The InChIKey is XOMWZLGVWRKZCE-JVSGEUHRSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6/c1-2-10-6-3-5(9)7(11)4-8(6)12;1-2/h2-4,11-12H,9H2,1H3;1-2H3/b10-2+;.
What are the key properties of 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane?
4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane has a molecular weight of 196.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane is sourced from PubChem (CID 142933869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).