4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol

C9H11N3O — CID 141401894

IUPAC4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol
SMILES[H]/N=C/C=NNCc1ccc(O)cc1
InChIInChI=1S/C9H11N3O/c10-5-6-11-12-7-8-1-3-9(13)4-2-8/h1-6,10,12-13H,7H2/b10-5+,11-6?
InChIKeyHXJZVVXRPSBSEJ-KZQYHOCUSA-N
MW177.21 g/mol
LogP1.12
Rot. Bonds4

About 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol

4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol (PubChem CID 141401894) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol
PubChem CID141401894
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol
SMILES[H]/N=C/C=NNCc1ccc(O)cc1
InChIInChI=1S/C9H11N3O/c10-5-6-11-12-7-8-1-3-9(13)4-2-8/h1-6,10,12-13H,7H2/b10-5+,11-6?
InChIKeyHXJZVVXRPSBSEJ-KZQYHOCUSA-N
XLogP1.12
TPSA68.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol?
The IUPAC name of 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol (CID 141401894) is 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol.
What is the SMILES notation for 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol?
The canonical SMILES for 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol is [H]/N=C/C=NNCc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol?
The InChIKey is HXJZVVXRPSBSEJ-KZQYHOCUSA-N. The full InChI is InChI=1S/C9H11N3O/c10-5-6-11-12-7-8-1-3-9(13)4-2-8/h1-6,10,12-13H,7H2/b10-5+,11-6?.
What are the key properties of 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol?
4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol has a molecular weight of 177.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-iminoethylidene)hydrazinyl]methyl]phenol is sourced from PubChem (CID 141401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).