N'-hydroxy-2-naphthalen-1-yloxyethanimidamide

C12H12N2O2 — CID 24700721

IUPACN'-hydroxy-2-naphthalen-1-yloxyethanimidamide
SMILESN/C(COc1cccc2ccccc12)=N\O
InChIInChI=1S/C12H12N2O2/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14)
InChIKeyYXGUKKZSQSABDK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.97
Rot. Bonds3

About N'-hydroxy-2-naphthalen-1-yloxyethanimidamide

N'-hydroxy-2-naphthalen-1-yloxyethanimidamide (PubChem CID 24700721) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-2-naphthalen-1-yloxyethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-naphthalen-1-yloxyethanimidamide
PubChem CID24700721
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN'-hydroxy-2-naphthalen-1-yloxyethanimidamide
SMILESN/C(COc1cccc2ccccc12)=N\O
InChIInChI=1S/C12H12N2O2/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14)
InChIKeyYXGUKKZSQSABDK-UHFFFAOYSA-N
XLogP1.97
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.97
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'}

Analyze N'-hydroxy-2-naphthalen-1-yloxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-naphthalen-1-yloxyethanimidamide?
The IUPAC name of N'-hydroxy-2-naphthalen-1-yloxyethanimidamide (CID 24700721) is N'-hydroxy-2-naphthalen-1-yloxyethanimidamide.
What is the SMILES notation for N'-hydroxy-2-naphthalen-1-yloxyethanimidamide?
The canonical SMILES for N'-hydroxy-2-naphthalen-1-yloxyethanimidamide is N/C(COc1cccc2ccccc12)=N\O.
What is the InChIKey of N'-hydroxy-2-naphthalen-1-yloxyethanimidamide?
The InChIKey is YXGUKKZSQSABDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-naphthalen-1-yloxyethanimidamide?
N'-hydroxy-2-naphthalen-1-yloxyethanimidamide has a molecular weight of 216.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-naphthalen-1-yloxyethanimidamide is sourced from PubChem (CID 24700721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).