2-ethoxy-N'-hydroxybenzenecarboximidamide

C9H12N2O2 — CID 4056736

IUPAC2-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccccc1C(N)=NO
InChIInChI=1S/C9H12N2O2/c1-2-13-8-6-4-3-5-7(8)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyZOGRANBHYCXFRO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.18
Rot. Bonds3

About 2-ethoxy-N'-hydroxybenzenecarboximidamide

2-ethoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 4056736) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-ethoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-ethoxy-N'-hydroxybenzenecarboximidamide
PubChem CID4056736
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccccc1C(N)=NO
InChIInChI=1S/C9H12N2O2/c1-2-13-8-6-4-3-5-7(8)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyZOGRANBHYCXFRO-UHFFFAOYSA-N
XLogP1.18
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.18
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'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-ethoxy-N'-hydroxybenzenecarboximidamide (CID 4056736) is 2-ethoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-ethoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-ethoxy-N'-hydroxybenzenecarboximidamide is CCOc1ccccc1C(N)=NO.
What is the InChIKey of 2-ethoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZOGRANBHYCXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-8-6-4-3-5-7(8)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11).
What are the key properties of 2-ethoxy-N'-hydroxybenzenecarboximidamide?
2-ethoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 4056736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).