N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide

C9H11IN2O — CID 71395384

IUPACN-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide
SMILESC[n+]1cccc(C=CC=NO)c1.[I-]
InChIInChI=1S/C9H10N2O.HI/c1-11-7-3-5-9(8-11)4-2-6-10-12;/h2-8H,1H3;1H
InChIKeyKZIVVEMQIFTSLS-UHFFFAOYSA-N
MW290.10 g/mol
LogP-2.01
Rot. Bonds2

About N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide

N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide (PubChem CID 71395384) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide.

Molecular Properties

Compound NameN-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide
PubChem CID71395384
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC NameN-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide
SMILESC[n+]1cccc(C=CC=NO)c1.[I-]
InChIInChI=1S/C9H10N2O.HI/c1-11-7-3-5-9(8-11)4-2-6-10-12;/h2-8H,1H3;1H
InChIKeyKZIVVEMQIFTSLS-UHFFFAOYSA-N
XLogP-2.01
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine
CID 71395385
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
CID 171375297
(E)-3-(1-methylpyridin-1-ium-3-yl)-N-phenylprop-2-enamide
CID 5476280
(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
CID 54606207
3-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]-1H-indole iodide
CID 53349400
3-(1-methylpyridin-1-ium-3-yl)phenol iodide
CID 24799785
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
4-[(1-methylpyridin-1-ium-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one iodide
CID 71966282
(2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one
CID 6444629
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
N,1-dimethylpyridin-1-ium-3-amine iodide
CID 44887181
(1-methylpyridin-1-ium-3-yl)methanediol
CID 14065284

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide?
The IUPAC name of N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide (CID 71395384) is N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide.
What is the SMILES notation for N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide?
The canonical SMILES for N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide is C[n+]1cccc(C=CC=NO)c1.[I-].
What is the InChIKey of N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide?
The InChIKey is KZIVVEMQIFTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.HI/c1-11-7-3-5-9(8-11)4-2-6-10-12;/h2-8H,1H3;1H.
What are the key properties of N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide?
N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide has a molecular weight of 290.10 g/mol, XLogP of -2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide is sourced from PubChem (CID 71395384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).