N'-hydroxy-2-methoxypropanimidamide

C4H10N2O2 — CID 72581636

IUPACN'-hydroxy-2-methoxypropanimidamide
SMILESCOC(C)C(N)=NO
InChIInChI=1S/C4H10N2O2/c1-3(8-2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKeyUGLCZPYLTOBSCK-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.23
Rot. Bonds2

About N'-hydroxy-2-methoxypropanimidamide

N'-hydroxy-2-methoxypropanimidamide (PubChem CID 72581636) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N'-hydroxy-2-methoxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxypropanimidamide
PubChem CID72581636
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN'-hydroxy-2-methoxypropanimidamide
SMILESCOC(C)C(N)=NO
InChIInChI=1S/C4H10N2O2/c1-3(8-2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKeyUGLCZPYLTOBSCK-UHFFFAOYSA-N
XLogP-0.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-2-methoxypropanimidamide?
The IUPAC name of N'-hydroxy-2-methoxypropanimidamide (CID 72581636) is N'-hydroxy-2-methoxypropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methoxypropanimidamide?
The canonical SMILES for N'-hydroxy-2-methoxypropanimidamide is COC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxypropanimidamide?
The InChIKey is UGLCZPYLTOBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(8-2)4(5)6-7/h3,7H,1-2H3,(H2,5,6).
What are the key properties of N'-hydroxy-2-methoxypropanimidamide?
N'-hydroxy-2-methoxypropanimidamide has a molecular weight of 118.14 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxypropanimidamide is sourced from PubChem (CID 72581636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).