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

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).