N'-hydroxy-4-methoxynaphthalene-1-carboximidamide

C12H12N2O2 — CID 2794730

IUPACN'-hydroxy-4-methoxynaphthalene-1-carboximidamide
SMILESCOc1ccc(C(N)=NO)c2ccccc12
InChIInChI=1S/C12H12N2O2/c1-16-11-7-6-10(12(13)14-15)8-4-2-3-5-9(8)11/h2-7,15H,1H3,(H2,13,14)
InChIKeyBQSTXUNHHBLHEM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.94
Rot. Bonds2

About N'-hydroxy-4-methoxynaphthalene-1-carboximidamide

N'-hydroxy-4-methoxynaphthalene-1-carboximidamide (PubChem CID 2794730) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-4-methoxynaphthalene-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxynaphthalene-1-carboximidamide
PubChem CID2794730
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN'-hydroxy-4-methoxynaphthalene-1-carboximidamide
SMILESCOc1ccc(C(N)=NO)c2ccccc12
InChIInChI=1S/C12H12N2O2/c1-16-11-7-6-10(12(13)14-15)8-4-2-3-5-9(8)11/h2-7,15H,1H3,(H2,13,14)
InChIKeyBQSTXUNHHBLHEM-UHFFFAOYSA-N
XLogP1.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.94
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-4-methoxynaphthalene-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxynaphthalene-1-carboximidamide (CID 2794730) is N'-hydroxy-4-methoxynaphthalene-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxynaphthalene-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxynaphthalene-1-carboximidamide is COc1ccc(C(N)=NO)c2ccccc12.
What is the InChIKey of N'-hydroxy-4-methoxynaphthalene-1-carboximidamide?
The InChIKey is BQSTXUNHHBLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-11-7-6-10(12(13)14-15)8-4-2-3-5-9(8)11/h2-7,15H,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-methoxynaphthalene-1-carboximidamide?
N'-hydroxy-4-methoxynaphthalene-1-carboximidamide has a molecular weight of 216.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxynaphthalene-1-carboximidamide is sourced from PubChem (CID 2794730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).