N'-hydroxy-3-methoxypropanimidamide

C4H10N2O2 — CID 6087716

IUPACN'-hydroxy-3-methoxypropanimidamide
SMILESCOCC/C(N)=N\O
InChIInChI=1S/C4H10N2O2/c1-8-3-2-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
InChIKeyORONPIWHCJVHPQ-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.23
Rot. Bonds3

About N'-hydroxy-3-methoxypropanimidamide

N'-hydroxy-3-methoxypropanimidamide (PubChem CID 6087716) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N'-hydroxy-3-methoxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxypropanimidamide
PubChem CID6087716
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN'-hydroxy-3-methoxypropanimidamide
SMILESCOCC/C(N)=N\O
InChIInChI=1S/C4H10N2O2/c1-8-3-2-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
InChIKeyORONPIWHCJVHPQ-UHFFFAOYSA-N
XLogP-0.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.23
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': '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 N'-hydroxy-3-methoxypropanimidamide?
The IUPAC name of N'-hydroxy-3-methoxypropanimidamide (CID 6087716) is N'-hydroxy-3-methoxypropanimidamide.
What is the SMILES notation for N'-hydroxy-3-methoxypropanimidamide?
The canonical SMILES for N'-hydroxy-3-methoxypropanimidamide is COCC/C(N)=N\O.
What is the InChIKey of N'-hydroxy-3-methoxypropanimidamide?
The InChIKey is ORONPIWHCJVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-8-3-2-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6).
What are the key properties of N'-hydroxy-3-methoxypropanimidamide?
N'-hydroxy-3-methoxypropanimidamide has a molecular weight of 118.14 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxypropanimidamide is sourced from PubChem (CID 6087716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).