4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol

C11H14N2O4 — CID 2488346

IUPAC4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
SMILESOc1ccc(C=NN2CCOCC2)c(O)c1O
InChIInChI=1S/C11H14N2O4/c14-9-2-1-8(10(15)11(9)16)7-12-13-3-5-17-6-4-13/h1-2,7,14-16H,3-6H2
InChIKeyQMKCXPQTYPNSFR-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.47
Rot. Bonds2

About 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol

4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol (PubChem CID 2488346) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
PubChem CID2488346
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
SMILESOc1ccc(C=NN2CCOCC2)c(O)c1O
InChIInChI=1S/C11H14N2O4/c14-9-2-1-8(10(15)11(9)16)7-12-13-3-5-17-6-4-13/h1-2,7,14-16H,3-6H2
InChIKeyQMKCXPQTYPNSFR-UHFFFAOYSA-N
XLogP0.47
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol?
The IUPAC name of 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol (CID 2488346) is 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol is Oc1ccc(C=NN2CCOCC2)c(O)c1O.
What is the InChIKey of 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol?
The InChIKey is QMKCXPQTYPNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-9-2-1-8(10(15)11(9)16)7-12-13-3-5-17-6-4-13/h1-2,7,14-16H,3-6H2.
What are the key properties of 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol?
4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol has a molecular weight of 238.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol is sourced from PubChem (CID 2488346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).