azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate

C7H10N2O4 — CID 11159732

IUPACazanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)[O-])c1ccco1.[NH4+]
InChIInChI=1S/C7H7NO4.H3N/c1-11-8-6(7(9)10)5-3-2-4-12-5;/h2-4H,1H3,(H,9,10);1H3/b8-6-;
InChIKeyZWNSXPIVYODLLM-PHZXCRFESA-N
MW186.17 g/mol
LogP-0.24
Rot. Bonds3

About azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate

azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate (PubChem CID 11159732) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameazanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate
PubChem CID11159732
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Nameazanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)[O-])c1ccco1.[NH4+]
InChIInChI=1S/C7H7NO4.H3N/c1-11-8-6(7(9)10)5-3-2-4-12-5;/h2-4H,1H3,(H,9,10);1H3/b8-6-;
InChIKeyZWNSXPIVYODLLM-PHZXCRFESA-N
XLogP-0.24
TPSA111.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate?
The IUPAC name of azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate (CID 11159732) is azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate.
What is the SMILES notation for azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate?
The canonical SMILES for azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate is CO/N=C(\C(=O)[O-])c1ccco1.[NH4+].
What is the InChIKey of azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate?
The InChIKey is ZWNSXPIVYODLLM-PHZXCRFESA-N. The full InChI is InChI=1S/C7H7NO4.H3N/c1-11-8-6(7(9)10)5-3-2-4-12-5;/h2-4H,1H3,(H,9,10);1H3/b8-6-;.
What are the key properties of azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate?
azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate has a molecular weight of 186.17 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2Z)-2-(furan-2-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 11159732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).