4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide

C15H12N2O3 — CID 22299045

IUPAC4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C15H12N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,17-19H/b13-9+
InChIKeyJLDRGQSARVXFGV-UKTHLTGXSA-N
MW268.27 g/mol
LogP1.86
Rot. Bonds3

About 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide

4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide (PubChem CID 22299045) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
PubChem CID22299045
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C15H12N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,17-19H/b13-9+
InChIKeyJLDRGQSARVXFGV-UKTHLTGXSA-N
XLogP1.86
TPSA91.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide (CID 22299045) is 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide is N#C/C(=C\c1ccc(O)cc1)c1ccc([NH+]([O-])O)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The InChIKey is JLDRGQSARVXFGV-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,17-19H/b13-9+.
What are the key properties of 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide has a molecular weight of 268.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 22299045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).