2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol

C10H14N2O — CID 110840042

IUPAC2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol
SMILESCc1cccc(C=NNCCO)c1
InChIInChI=1S/C10H14N2O/c1-9-3-2-4-10(7-9)8-12-11-5-6-13/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyVWAZBKOWGIVEKI-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.91
Rot. Bonds4

About 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110840042) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110840042
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol
SMILESCc1cccc(C=NNCCO)c1
InChIInChI=1S/C10H14N2O/c1-9-3-2-4-10(7-9)8-12-11-5-6-13/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyVWAZBKOWGIVEKI-UHFFFAOYSA-N
XLogP0.91
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol (CID 110840042) is 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol is Cc1cccc(C=NNCCO)c1.
What is the InChIKey of 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is VWAZBKOWGIVEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9-3-2-4-10(7-9)8-12-11-5-6-13/h2-4,7-8,11,13H,5-6H2,1H3.
What are the key properties of 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 178.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110840042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).