2-[(E)-(dimethylhydrazinylidene)methyl]phenol

C9H12N2O — CID 135455261

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1ccccc1O
InChIInChI=1S/C9H12N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12/h3-7,12H,1-2H3/b10-7+
InChIKeyFRBHOAJTMYUBGD-JXMROGBWSA-N
MW164.21 g/mol
LogP1.29
Rot. Bonds2

About 2-[(E)-(dimethylhydrazinylidene)methyl]phenol

2-[(E)-(dimethylhydrazinylidene)methyl]phenol (PubChem CID 135455261) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]phenol
PubChem CID135455261
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1ccccc1O
InChIInChI=1S/C9H12N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12/h3-7,12H,1-2H3/b10-7+
InChIKeyFRBHOAJTMYUBGD-JXMROGBWSA-N
XLogP1.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol (CID 135455261) is 2-[(E)-(dimethylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol is CN(C)/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The InChIKey is FRBHOAJTMYUBGD-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)10-7-8-5-3-4-6-9(8)12/h3-7,12H,1-2H3/b10-7+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]phenol?
2-[(E)-(dimethylhydrazinylidene)methyl]phenol has a molecular weight of 164.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135455261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).