(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride

C11H11ClN2O2 — CID 45484577

IUPAC(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
SMILESO/N=C/c1ccc[n+](Cc2ccco2)c1.[Cl-]
InChIInChI=1S/C11H10N2O2.ClH/c14-12-7-10-3-1-5-13(8-10)9-11-4-2-6-15-11;/h1-8H,9H2;1H/b12-7+;
InChIKeyVMIHQOBUJRQLBQ-RRAJOLSVSA-N
MW238.67 g/mol
LogP-1.57
Rot. Bonds3

About (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride

(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride (PubChem CID 45484577) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride.

Molecular Properties

Compound Name(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
PubChem CID45484577
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
SMILESO/N=C/c1ccc[n+](Cc2ccco2)c1.[Cl-]
InChIInChI=1S/C11H10N2O2.ClH/c14-12-7-10-3-1-5-13(8-10)9-11-4-2-6-15-11;/h1-8H,9H2;1H/b12-7+;
InChIKeyVMIHQOBUJRQLBQ-RRAJOLSVSA-N
XLogP-1.57
TPSA49.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride?
The IUPAC name of (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride (CID 45484577) is (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride.
What is the SMILES notation for (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride?
The canonical SMILES for (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride is O/N=C/c1ccc[n+](Cc2ccco2)c1.[Cl-].
What is the InChIKey of (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride?
The InChIKey is VMIHQOBUJRQLBQ-RRAJOLSVSA-N. The full InChI is InChI=1S/C11H10N2O2.ClH/c14-12-7-10-3-1-5-13(8-10)9-11-4-2-6-15-11;/h1-8H,9H2;1H/b12-7+;.
What are the key properties of (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride?
(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride has a molecular weight of 238.67 g/mol, XLogP of -1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride is sourced from PubChem (CID 45484577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).