N'-(4-ethylphenyl)-N-hydroxymethanimidamide

C9H12N2O — CID 10130125

IUPACN'-(4-ethylphenyl)-N-hydroxymethanimidamide
SMILESCCc1ccc(/N=C/NO)cc1
InChIInChI=1S/C9H12N2O/c1-2-8-3-5-9(6-4-8)10-7-11-12/h3-7,12H,2H2,1H3,(H,10,11)
InChIKeyMBDCLNRSFGFOLO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.89
Rot. Bonds3

About N'-(4-ethylphenyl)-N-hydroxymethanimidamide

N'-(4-ethylphenyl)-N-hydroxymethanimidamide (PubChem CID 10130125) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-hydroxymethanimidamide
PubChem CID10130125
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-(4-ethylphenyl)-N-hydroxymethanimidamide
SMILESCCc1ccc(/N=C/NO)cc1
InChIInChI=1S/C9H12N2O/c1-2-8-3-5-9(6-4-8)10-7-11-12/h3-7,12H,2H2,1H3,(H,10,11)
InChIKeyMBDCLNRSFGFOLO-UHFFFAOYSA-N
XLogP1.89
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(4-ethylphenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-ethylphenyl)-N-hydroxymethanimidamide (CID 10130125) is N'-(4-ethylphenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-hydroxymethanimidamide is CCc1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-hydroxymethanimidamide?
The InChIKey is MBDCLNRSFGFOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-8-3-5-9(6-4-8)10-7-11-12/h3-7,12H,2H2,1H3,(H,10,11).
What are the key properties of N'-(4-ethylphenyl)-N-hydroxymethanimidamide?
N'-(4-ethylphenyl)-N-hydroxymethanimidamide has a molecular weight of 164.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 10130125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).