acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine

C6H12N2O4 — CID 173334352

IUPACacetic acid;N-(2-methoxyiminopropylidene)hydroxylamine
SMILESCC(=O)O.CON=C(C)C=NO
InChIInChI=1S/C4H8N2O2.C2H4O2/c1-4(3-5-7)6-8-2;1-2(3)4/h3,7H,1-2H3;1H3,(H,3,4)
InChIKeyWJSIIOBLDDZAQO-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.56
Rot. Bonds2

About acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine

acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine (PubChem CID 173334352) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-(2-methoxyiminopropylidene)hydroxylamine
PubChem CID173334352
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameacetic acid;N-(2-methoxyiminopropylidene)hydroxylamine
SMILESCC(=O)O.CON=C(C)C=NO
InChIInChI=1S/C4H8N2O2.C2H4O2/c1-4(3-5-7)6-8-2;1-2(3)4/h3,7H,1-2H3;1H3,(H,3,4)
InChIKeyWJSIIOBLDDZAQO-UHFFFAOYSA-N
XLogP0.56
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine?
The IUPAC name of acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine (CID 173334352) is acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine.
What is the SMILES notation for acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine?
The canonical SMILES for acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine is CC(=O)O.CON=C(C)C=NO.
What is the InChIKey of acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine?
The InChIKey is WJSIIOBLDDZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C2H4O2/c1-4(3-5-7)6-8-2;1-2(3)4/h3,7H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine?
acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine has a molecular weight of 176.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-methoxyiminopropylidene)hydroxylamine is sourced from PubChem (CID 173334352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).