(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine

C8H11N2O+ — CID 162648523

IUPAC(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
SMILESCc1ccc[n+](C)c1/C=N/O
InChIInChI=1S/C8H10N2O/c1-7-4-3-5-10(2)8(7)6-9-11/h3-6H,1-2H3/p+1
InChIKeyVZHMGQRCQHMTIG-UHFFFAOYSA-O
MW151.19 g/mol
LogP0.63
Rot. Bonds1

About (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine

(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine (PubChem CID 162648523) has the molecular formula C8H11N2O+ and a molecular weight of 151.19 g/mol. Its IUPAC name is (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
PubChem CID162648523
Molecular FormulaC8H11N2O+
Molecular Weight151.19 g/mol
Exact Mass151.09
IUPAC Name(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
SMILESCc1ccc[n+](C)c1/C=N/O
InChIInChI=1S/C8H10N2O/c1-7-4-3-5-10(2)8(7)6-9-11/h3-6H,1-2H3/p+1
InChIKeyVZHMGQRCQHMTIG-UHFFFAOYSA-O
XLogP0.63
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[3-[3-[2-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl]oxypropoxy]-1-methylpyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 135507380
(NE)-N-[[3-[8-[2-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl]oxyoctoxy]-1-methylpyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 135891773
(NZ)-N-[[3-[3-[2-[(Z)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl]oxypropoxy]-1-methylpyridin-1-ium-2-yl]methylidene]hydroxylamine diiodide
CID 135686665
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine acetate
CID 135959466
(NZ)-N-[(1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 135603327
hydrogen sulfate;(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 135959467
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 137218431
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
1,2-dimethylpyridin-1-ium-3-ol
CID 4271972
methyl hydrogen sulfate;(NZ)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 135573580
(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
CID 162470023

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine (CID 162648523) is (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine is Cc1ccc[n+](C)c1/C=N/O.
What is the InChIKey of (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine?
The InChIKey is VZHMGQRCQHMTIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2O/c1-7-4-3-5-10(2)8(7)6-9-11/h3-6H,1-2H3/p+1.
What are the key properties of (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine?
(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine has a molecular weight of 151.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 162648523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).