N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide

C9H10N2O — CID 135471149

IUPACN-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide
SMILESC/N=C/N=C/c1ccc(O)cc1
InChIInChI=1S/C9H10N2O/c1-10-7-11-6-8-2-4-9(12)5-3-8/h2-7,12H,1H3/b10-7+,11-6+
InChIKeyXAGQNWCLRYDJCU-NXAIOARDSA-N
MW162.19 g/mol
LogP1.47
Rot. Bonds2

About N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide

N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide (PubChem CID 135471149) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide
PubChem CID135471149
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide
SMILESC/N=C/N=C/c1ccc(O)cc1
InChIInChI=1S/C9H10N2O/c1-10-7-11-6-8-2-4-9(12)5-3-8/h2-7,12H,1H3/b10-7+,11-6+
InChIKeyXAGQNWCLRYDJCU-NXAIOARDSA-N
XLogP1.47
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide (CID 135471149) is N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide is C/N=C/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide?
The InChIKey is XAGQNWCLRYDJCU-NXAIOARDSA-N. The full InChI is InChI=1S/C9H10N2O/c1-10-7-11-6-8-2-4-9(12)5-3-8/h2-7,12H,1H3/b10-7+,11-6+.
What are the key properties of N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide?
N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide has a molecular weight of 162.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 135471149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).