(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine

C14H14N2O2 — CID 24709882

IUPAC(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11(16-17)13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+
InChIKeyQPEKYMOYDZAFJD-LFIBNONCSA-N
MW242.28 g/mol
LogP2.86
Rot. Bonds4

About (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 24709882) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID24709882
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11(16-17)13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+
InChIKeyQPEKYMOYDZAFJD-LFIBNONCSA-N
XLogP2.86
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine (CID 24709882) is (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is QPEKYMOYDZAFJD-LFIBNONCSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11(16-17)13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+.
What are the key properties of (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).