ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine

C8H10N2O — CID 143032049

IUPACethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
SMILESC=C.O/N=C/c1ccncc1
InChIInChI=1S/C6H6N2O.C2H4/c9-8-5-6-1-3-7-4-2-6;1-2/h1-5,9H;1-2H2/b8-5+;
InChIKeyQKYPDDZUMDOQHP-HAAWTFQLSA-N
MW150.18 g/mol
LogP1.69
Rot. Bonds1

About ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine

ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine (PubChem CID 143032049) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Nameethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
PubChem CID143032049
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Nameethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
SMILESC=C.O/N=C/c1ccncc1
InChIInChI=1S/C6H6N2O.C2H4/c9-8-5-6-1-3-7-4-2-6;1-2/h1-5,9H;1-2H2/b8-5+;
InChIKeyQKYPDDZUMDOQHP-HAAWTFQLSA-N
XLogP1.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
4-ethenylpyridine;nitrous acid
CID 174851226
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
CID 136728703
CID 6330289
CID 6330289
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
N-benzylidenehydroxylamine;ethane
CID 90698406
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
CID 11321538

Frequently Asked Questions

What is the IUPAC name of ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine?
The IUPAC name of ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine (CID 143032049) is ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine?
The canonical SMILES for ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine is C=C.O/N=C/c1ccncc1.
What is the InChIKey of ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine?
The InChIKey is QKYPDDZUMDOQHP-HAAWTFQLSA-N. The full InChI is InChI=1S/C6H6N2O.C2H4/c9-8-5-6-1-3-7-4-2-6;1-2/h1-5,9H;1-2H2/b8-5+;.
What are the key properties of ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine?
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine has a molecular weight of 150.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 143032049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).