N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide

C10H15IN2O — CID 3050870

IUPACN-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCCCc1cc[n+](C)c(C=NO)c1.[I-]
InChIInChI=1S/C10H14N2O.HI/c1-3-4-9-5-6-12(2)10(7-9)8-11-13;/h5-8H,3-4H2,1-2H3;1H
InChIKeyFDRHLWKPIWBFQJ-UHFFFAOYSA-N
MW306.15 g/mol
LogP-1.72
Rot. Bonds3

About N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide

N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide (PubChem CID 3050870) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide.

Molecular Properties

Compound NameN-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
PubChem CID3050870
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC NameN-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCCCc1cc[n+](C)c(C=NO)c1.[I-]
InChIInChI=1S/C10H14N2O.HI/c1-3-4-9-5-6-12(2)10(7-9)8-11-13;/h5-8H,3-4H2,1-2H3;1H
InChIKeyFDRHLWKPIWBFQJ-UHFFFAOYSA-N
XLogP-1.72
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 5-1.72
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The IUPAC name of N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide (CID 3050870) is N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide.
What is the SMILES notation for N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The canonical SMILES for N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide is CCCc1cc[n+](C)c(C=NO)c1.[I-].
What is the InChIKey of N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The InChIKey is FDRHLWKPIWBFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.HI/c1-3-4-9-5-6-12(2)10(7-9)8-11-13;/h5-8H,3-4H2,1-2H3;1H.
What are the key properties of N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide has a molecular weight of 306.15 g/mol, XLogP of -1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide is sourced from PubChem (CID 3050870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).