3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol

C11H10N2O3 — CID 136961618

IUPAC3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol
SMILESOc1ccccc1/N=C/c1c(O)c[nH]c1O
InChIInChI=1S/C11H10N2O3/c14-9-4-2-1-3-8(9)12-5-7-10(15)6-13-11(7)16/h1-6,13-16H/b12-5+
InChIKeySKWXOKAXPFTGMA-LFYBBSHMSA-N
MW218.21 g/mol
LogP1.88
Rot. Bonds2

About 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol

3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol (PubChem CID 136961618) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol
PubChem CID136961618
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol
SMILESOc1ccccc1/N=C/c1c(O)c[nH]c1O
InChIInChI=1S/C11H10N2O3/c14-9-4-2-1-3-8(9)12-5-7-10(15)6-13-11(7)16/h1-6,13-16H/b12-5+
InChIKeySKWXOKAXPFTGMA-LFYBBSHMSA-N
XLogP1.88
TPSA88.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol?
The IUPAC name of 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol (CID 136961618) is 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol.
What is the SMILES notation for 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol?
The canonical SMILES for 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol is Oc1ccccc1/N=C/c1c(O)c[nH]c1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol?
The InChIKey is SKWXOKAXPFTGMA-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9-4-2-1-3-8(9)12-5-7-10(15)6-13-11(7)16/h1-6,13-16H/b12-5+.
What are the key properties of 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol?
3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol has a molecular weight of 218.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)iminomethyl]-1H-pyrrole-2,4-diol is sourced from PubChem (CID 136961618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).