(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine

C15H14N2O — CID 101384779

IUPAC(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N/O)/C(=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-12(17-18)15(14-7-3-2-4-8-14)10-13-6-5-9-16-11-13/h2-11,18H,1H3/b15-10-,17-12-
InChIKeyHYPLMCRDSPXICH-QHWPHCJNSA-N
MW238.29 g/mol
LogP3.47
Rot. Bonds3

About (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine

(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 101384779) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
PubChem CID101384779
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N/O)/C(=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-12(17-18)15(14-7-3-2-4-8-14)10-13-6-5-9-16-11-13/h2-11,18H,1H3/b15-10-,17-12-
InChIKeyHYPLMCRDSPXICH-QHWPHCJNSA-N
XLogP3.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895
(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135582748
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135696578
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
(E)-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 21094111
3-pyridin-3-yl-2-pyrimidin-5-ylprop-2-enoic acid
CID 129285754
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(E)-3-pyridin-3-yl-2-thiophen-3-ylprop-2-enoic acid
CID 139757336

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine (CID 101384779) is (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine is CC(=N/O)/C(=C/c1cccnc1)c1ccccc1.
What is the InChIKey of (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is HYPLMCRDSPXICH-QHWPHCJNSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12(17-18)15(14-7-3-2-4-8-14)10-13-6-5-9-16-11-13/h2-11,18H,1H3/b15-10-,17-12-.
What are the key properties of (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine?
(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 238.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 101384779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).