4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol

C11H10N2O2 — CID 6898411

IUPAC4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol
SMILESO/N=C/c1cccn1-c1ccc(O)cc1
InChIInChI=1S/C11H10N2O2/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12-15/h1-8,14-15H/b12-8+
InChIKeyZTHLWPXVJSBWCM-XYOKQWHBSA-N
MW202.21 g/mol
LogP1.99
Rot. Bonds2

About 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol

4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol (PubChem CID 6898411) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol
PubChem CID6898411
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol
SMILESO/N=C/c1cccn1-c1ccc(O)cc1
InChIInChI=1S/C11H10N2O2/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12-15/h1-8,14-15H/b12-8+
InChIKeyZTHLWPXVJSBWCM-XYOKQWHBSA-N
XLogP1.99
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_M(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol?
The IUPAC name of 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol (CID 6898411) is 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol.
What is the SMILES notation for 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol?
The canonical SMILES for 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol is O/N=C/c1cccn1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol?
The InChIKey is ZTHLWPXVJSBWCM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12-15/h1-8,14-15H/b12-8+.
What are the key properties of 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol?
4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol has a molecular weight of 202.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-hydroxyiminomethyl]pyrrol-1-yl]phenol is sourced from PubChem (CID 6898411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).