O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine

C14H14N2O — CID 22631257

IUPACO-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine
SMILESNOC/C=C/c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H14N2O/c15-17-11-3-4-12-6-8-13(9-7-12)14-5-1-2-10-16-14/h1-10H,11,15H2/b4-3+
InChIKeyLOEHQIVVERXCOC-ONEGZZNKSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds4

About O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine

O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine (PubChem CID 22631257) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine
PubChem CID22631257
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameO-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine
SMILESNOC/C=C/c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H14N2O/c15-17-11-3-4-12-6-8-13(9-7-12)14-5-1-2-10-16-14/h1-10H,11,15H2/b4-3+
InChIKeyLOEHQIVVERXCOC-ONEGZZNKSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine?
The IUPAC name of O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine (CID 22631257) is O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine is NOC/C=C/c1ccc(-c2ccccn2)cc1.
What is the InChIKey of O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine?
The InChIKey is LOEHQIVVERXCOC-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14N2O/c15-17-11-3-4-12-6-8-13(9-7-12)14-5-1-2-10-16-14/h1-10H,11,15H2/b4-3+.
What are the key properties of O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine?
O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine has a molecular weight of 226.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine is sourced from PubChem (CID 22631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).