(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine

C16H16N2O — CID 135582748

IUPAC(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O/c1-12-3-5-15(6-4-12)16(13(2)18-19)11-14-7-9-17-10-8-14/h3-11,19H,1-2H3/b16-11+,18-13+
InChIKeyIFBJGCZQQUYLHG-MSAQHZNWSA-N
MW252.32 g/mol
LogP3.78
Rot. Bonds3

About (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine

(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 135582748) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
PubChem CID135582748
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O/c1-12-3-5-15(6-4-12)16(13(2)18-19)11-14-7-9-17-10-8-14/h3-11,19H,1-2H3/b16-11+,18-13+
InChIKeyIFBJGCZQQUYLHG-MSAQHZNWSA-N
XLogP3.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.78
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-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135696578
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
CID 101384779
4-(2-ethoxyprop-1-enyl)pyridine
CID 70508094
4-[(Z)-2-fluoroprop-1-enyl]pyridine
CID 170619141
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine
CID 143044800
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine (CID 135582748) is (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine is CC(=N\O)/C(=C\c1ccncc1)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is IFBJGCZQQUYLHG-MSAQHZNWSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-3-5-15(6-4-12)16(13(2)18-19)11-14-7-9-17-10-8-14/h3-11,19H,1-2H3/b16-11+,18-13+.
What are the key properties of (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 252.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 135582748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).