4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol

C11H14N2O3 — CID 135964584

IUPAC4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N\N2CCOCC2)cc1O
InChIInChI=1S/C11H14N2O3/c14-10-2-1-9(7-11(10)15)8-12-13-3-5-16-6-4-13/h1-2,7-8,14-15H,3-6H2/b12-8-
InChIKeyRMXDSRLIHXSYGU-WQLSENKSSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds2

About 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol

4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol (PubChem CID 135964584) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
PubChem CID135964584
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N\N2CCOCC2)cc1O
InChIInChI=1S/C11H14N2O3/c14-10-2-1-9(7-11(10)15)8-12-13-3-5-16-6-4-13/h1-2,7-8,14-15H,3-6H2/b12-8-
InChIKeyRMXDSRLIHXSYGU-WQLSENKSSA-N
XLogP0.76
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol 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-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171
1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
CID 23791709
4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
CID 2488346
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135842388
4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzene-1,2-diol
CID 135492291
2-[(Z)-morpholin-4-yliminomethyl]-4-nitrophenol
CID 135726926
1-[(3,4-dihydroxyphenyl)methylideneamino]piperazine-2,3-dione
CID 135966817
(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
CID 6904910
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
CID 9058568
(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
CID 6898960

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol (CID 135964584) is 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol is Oc1ccc(/C=N\N2CCOCC2)cc1O.
What is the InChIKey of 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol?
The InChIKey is RMXDSRLIHXSYGU-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-2-1-9(7-11(10)15)8-12-13-3-5-16-6-4-13/h1-2,7-8,14-15H,3-6H2/b12-8-.
What are the key properties of 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol?
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol has a molecular weight of 222.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135964584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).