N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide

C10H14N2O2 — CID 83878809

IUPACN'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
SMILESCOCc1ccccc1C/C(N)=N/O
InChIInChI=1S/C10H14N2O2/c1-14-7-9-5-3-2-4-8(9)6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyFKPYVKJJWVZLAI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds4

About N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide

N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide (PubChem CID 83878809) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
PubChem CID83878809
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
SMILESCOCc1ccccc1C/C(N)=N/O
InChIInChI=1S/C10H14N2O2/c1-14-7-9-5-3-2-4-8(9)6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyFKPYVKJJWVZLAI-UHFFFAOYSA-N
XLogP1.12
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
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-[2-(methoxymethyl)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide (CID 83878809) is N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide is COCc1ccccc1C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide?
The InChIKey is FKPYVKJJWVZLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-7-9-5-3-2-4-8(9)6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide?
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide has a molecular weight of 194.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide is sourced from PubChem (CID 83878809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).