N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide

C9H12N2O2 — CID 20763602

IUPACN-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide
SMILESCOc1ccc(C)c(/N=C/NO)c1
InChIInChI=1S/C9H12N2O2/c1-7-3-4-8(13-2)5-9(7)10-6-11-12/h3-6,12H,1-2H3,(H,10,11)
InChIKeyQGOWGONCKRTZLJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.64
Rot. Bonds3

About N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide

N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide (PubChem CID 20763602) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide
PubChem CID20763602
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide
SMILESCOc1ccc(C)c(/N=C/NO)c1
InChIInChI=1S/C9H12N2O2/c1-7-3-4-8(13-2)5-9(7)10-6-11-12/h3-6,12H,1-2H3,(H,10,11)
InChIKeyQGOWGONCKRTZLJ-UHFFFAOYSA-N
XLogP1.64
TPSA53.85 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 ≤ 51.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide (CID 20763602) is N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide is COc1ccc(C)c(/N=C/NO)c1.
What is the InChIKey of N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide?
The InChIKey is QGOWGONCKRTZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-3-4-8(13-2)5-9(7)10-6-11-12/h3-6,12H,1-2H3,(H,10,11).
What are the key properties of N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide?
N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide has a molecular weight of 180.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(5-methoxy-2-methylphenyl)methanimidamide is sourced from PubChem (CID 20763602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).