5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol

C11H14N2O4 — CID 135964579

IUPAC5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol
SMILESOc1cc(/C=N\N2CCOCC2)cc(O)c1O
InChIInChI=1S/C11H14N2O4/c14-9-5-8(6-10(15)11(9)16)7-12-13-1-3-17-4-2-13/h5-7,14-16H,1-4H2/b12-7-
InChIKeyDPIWUQFAJAKVAS-GHXNOFRVSA-N
MW238.24 g/mol
LogP0.47
Rot. Bonds2

About 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol

5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol (PubChem CID 135964579) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol
PubChem CID135964579
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol
SMILESOc1cc(/C=N\N2CCOCC2)cc(O)c1O
InChIInChI=1S/C11H14N2O4/c14-9-5-8(6-10(15)11(9)16)7-12-13-1-3-17-4-2-13/h5-7,14-16H,1-4H2/b12-7-
InChIKeyDPIWUQFAJAKVAS-GHXNOFRVSA-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_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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Related Compounds

2-methoxy-5-[(E)-(morpholin-4-ylimino)methyl]phenol
CID 6903171
(4E)-2,3-dihydroxy-4-[(morpholin-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135519976
(4E)-2,3-dihydroxy-4-[(piperidin-1-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135716008
4-((1E)-2-morpholin-4-yl-2-azavinyl)phenol
CID 135560806
4-[(Z)-morpholinoiminomethyl]benzene-1,2,3-triol
CID 135964574
4-[(Z)-(4-methylpiperazin-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964575
4-[(Z)-(4,4-dimethylpiperazin-4-ium-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964576
4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964578
5-[(Z)-(4-methylpiperazin-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964580
5-[(Z)-(4,4-dimethylpiperazin-4-ium-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964581
5-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2,3-triol
CID 135964583
4-[(Z)-morpholinoiminomethyl]benzene-1,2-diol
CID 135964584

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol?
The IUPAC name of 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol (CID 135964579) is 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol.
What is the SMILES notation for 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol?
The canonical SMILES for 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol is Oc1cc(/C=N\N2CCOCC2)cc(O)c1O.
What is the InChIKey of 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol?
The InChIKey is DPIWUQFAJAKVAS-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-9-5-8(6-10(15)11(9)16)7-12-13-1-3-17-4-2-13/h5-7,14-16H,1-4H2/b12-7-.
What are the key properties of 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol?
5-[(Z)-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 5-[(Z)-morpholin-4-yliminomethyl]benzene-1,2,3-triol is sourced from PubChem (CID 135964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).