N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide

C13H14N2O2 — CID 88608059

IUPACN'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide
SMILESCOc1ccc2cc(C/C(N)=N\O)ccc2c1
InChIInChI=1S/C13H14N2O2/c1-17-12-5-4-10-6-9(7-13(14)15-16)2-3-11(10)8-12/h2-6,8,16H,7H2,1H3,(H2,14,15)
InChIKeyFWAFTVCSTVGKRN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.14
Rot. Bonds3

About N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide

N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide (PubChem CID 88608059) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide
PubChem CID88608059
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide
SMILESCOc1ccc2cc(C/C(N)=N\O)ccc2c1
InChIInChI=1S/C13H14N2O2/c1-17-12-5-4-10-6-9(7-13(14)15-16)2-3-11(10)8-12/h2-6,8,16H,7H2,1H3,(H2,14,15)
InChIKeyFWAFTVCSTVGKRN-UHFFFAOYSA-N
XLogP2.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.14
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-(6-methoxynaphthalen-2-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide (CID 88608059) is N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide is COc1ccc2cc(C/C(N)=N\O)ccc2c1.
What is the InChIKey of N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide?
The InChIKey is FWAFTVCSTVGKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-5-4-10-6-9(7-13(14)15-16)2-3-11(10)8-12/h2-6,8,16H,7H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide?
N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide has a molecular weight of 230.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(6-methoxynaphthalen-2-yl)ethanimidamide is sourced from PubChem (CID 88608059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).