(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine

C13H12N2O2 — CID 39869732

IUPAC(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C13H12N2O2/c16-15-9-11-1-3-13(4-2-11)17-10-12-5-7-14-8-6-12/h1-9,16H,10H2/b15-9-
InChIKeyCPMLLYKPNQNQPM-DHDCSXOGSA-N
MW228.25 g/mol
LogP2.47
Rot. Bonds4

About (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine

(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 39869732) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
PubChem CID39869732
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C13H12N2O2/c16-15-9-11-1-3-13(4-2-11)17-10-12-5-7-14-8-6-12/h1-9,16H,10H2/b15-9-
InChIKeyCPMLLYKPNQNQPM-DHDCSXOGSA-N
XLogP2.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.47
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

(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
(NZ)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 5409333
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 820947
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
(E)-1-(4-hydroxyphenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46486412
(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42303354
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine (CID 39869732) is (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine is O/N=C\c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is CPMLLYKPNQNQPM-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-15-9-11-1-3-13(4-2-11)17-10-12-5-7-14-8-6-12/h1-9,16H,10H2/b15-9-.
What are the key properties of (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 228.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 39869732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).