2-ethoxy-N'-hydroxypropanimidamide

C5H12N2O2 — CID 54593678

IUPAC2-ethoxy-N'-hydroxypropanimidamide
SMILESCCOC(C)/C(N)=N/O
InChIInChI=1S/C5H12N2O2/c1-3-9-4(2)5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7)
InChIKeyCVFWTYFIVVWAHQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.16
Rot. Bonds3

About 2-ethoxy-N'-hydroxypropanimidamide

2-ethoxy-N'-hydroxypropanimidamide (PubChem CID 54593678) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-ethoxy-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-ethoxy-N'-hydroxypropanimidamide
PubChem CID54593678
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-ethoxy-N'-hydroxypropanimidamide
SMILESCCOC(C)/C(N)=N/O
InChIInChI=1S/C5H12N2O2/c1-3-9-4(2)5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7)
InChIKeyCVFWTYFIVVWAHQ-UHFFFAOYSA-N
XLogP0.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.16
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 2-ethoxy-N'-hydroxypropanimidamide?
The IUPAC name of 2-ethoxy-N'-hydroxypropanimidamide (CID 54593678) is 2-ethoxy-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-ethoxy-N'-hydroxypropanimidamide?
The canonical SMILES for 2-ethoxy-N'-hydroxypropanimidamide is CCOC(C)/C(N)=N/O.
What is the InChIKey of 2-ethoxy-N'-hydroxypropanimidamide?
The InChIKey is CVFWTYFIVVWAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3-9-4(2)5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7).
What are the key properties of 2-ethoxy-N'-hydroxypropanimidamide?
2-ethoxy-N'-hydroxypropanimidamide has a molecular weight of 132.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-hydroxypropanimidamide is sourced from PubChem (CID 54593678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).