4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol

C9H11N3O — CID 146294503

IUPAC4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol
SMILES[H]/N=C/C=N\Nc1ccc(O)cc1C
InChIInChI=1S/C9H11N3O/c1-7-6-8(13)2-3-9(7)12-11-5-4-10/h2-6,10,12-13H,1H3/b10-4+,11-5-
InChIKeyVYMZDIXMGCJXMD-CYQDLDFOSA-N
MW177.21 g/mol
LogP1.75
Rot. Bonds3

About 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol

4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol (PubChem CID 146294503) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol
PubChem CID146294503
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol
SMILES[H]/N=C/C=N\Nc1ccc(O)cc1C
InChIInChI=1S/C9H11N3O/c1-7-6-8(13)2-3-9(7)12-11-5-4-10/h2-6,10,12-13H,1H3/b10-4+,11-5-
InChIKeyVYMZDIXMGCJXMD-CYQDLDFOSA-N
XLogP1.75
TPSA68.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_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 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol?
The IUPAC name of 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol (CID 146294503) is 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol.
What is the SMILES notation for 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol?
The canonical SMILES for 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol is [H]/N=C/C=N\Nc1ccc(O)cc1C.
What is the InChIKey of 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol?
The InChIKey is VYMZDIXMGCJXMD-CYQDLDFOSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-6-8(13)2-3-9(7)12-11-5-4-10/h2-6,10,12-13H,1H3/b10-4+,11-5-.
What are the key properties of 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol?
4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol has a molecular weight of 177.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol is sourced from PubChem (CID 146294503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).