2-hydroxy-N'-methoxyethanimidamide

C3H8N2O2 — CID 126677071

IUPAC2-hydroxy-N'-methoxyethanimidamide
SMILESCO/N=C(\N)CO
InChIInChI=1S/C3H8N2O2/c1-7-5-3(4)2-6/h6H,2H2,1H3,(H2,4,5)
InChIKeyUDDHBUDQJLBBPO-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.10
Rot. Bonds2

About 2-hydroxy-N'-methoxyethanimidamide

2-hydroxy-N'-methoxyethanimidamide (PubChem CID 126677071) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-hydroxy-N'-methoxyethanimidamide.

Molecular Properties

Compound Name2-hydroxy-N'-methoxyethanimidamide
PubChem CID126677071
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name2-hydroxy-N'-methoxyethanimidamide
SMILESCO/N=C(\N)CO
InChIInChI=1S/C3H8N2O2/c1-7-5-3(4)2-6/h6H,2H2,1H3,(H2,4,5)
InChIKeyUDDHBUDQJLBBPO-UHFFFAOYSA-N
XLogP-1.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-hydroxy-N'-methoxyethanimidamide?
The IUPAC name of 2-hydroxy-N'-methoxyethanimidamide (CID 126677071) is 2-hydroxy-N'-methoxyethanimidamide.
What is the SMILES notation for 2-hydroxy-N'-methoxyethanimidamide?
The canonical SMILES for 2-hydroxy-N'-methoxyethanimidamide is CO/N=C(\N)CO.
What is the InChIKey of 2-hydroxy-N'-methoxyethanimidamide?
The InChIKey is UDDHBUDQJLBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-7-5-3(4)2-6/h6H,2H2,1H3,(H2,4,5).
What are the key properties of 2-hydroxy-N'-methoxyethanimidamide?
2-hydroxy-N'-methoxyethanimidamide has a molecular weight of 104.11 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-methoxyethanimidamide is sourced from PubChem (CID 126677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).