3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol

C13H18N2O3 — CID 136703171

IUPAC3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/CCN2CCOCC2)c1O
InChIInChI=1S/C13H18N2O3/c16-12-3-1-2-11(13(12)17)10-14-4-5-15-6-8-18-9-7-15/h1-3,10,16-17H,4-9H2/b14-10+
InChIKeyGQONQSLDHSBBOL-GXDHUFHOSA-N
MW250.30 g/mol
LogP0.85
Rot. Bonds4

About 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol

3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol (PubChem CID 136703171) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol
PubChem CID136703171
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/CCN2CCOCC2)c1O
InChIInChI=1S/C13H18N2O3/c16-12-3-1-2-11(13(12)17)10-14-4-5-15-6-8-18-9-7-15/h1-3,10,16-17H,4-9H2/b14-10+
InChIKeyGQONQSLDHSBBOL-GXDHUFHOSA-N
XLogP0.85
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol (CID 136703171) is 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol is Oc1cccc(/C=N/CCN2CCOCC2)c1O.
What is the InChIKey of 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol?
The InChIKey is GQONQSLDHSBBOL-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-3-1-2-11(13(12)17)10-14-4-5-15-6-8-18-9-7-15/h1-3,10,16-17H,4-9H2/b14-10+.
What are the key properties of 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol?
3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol has a molecular weight of 250.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 136703171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).