benzohydrazide;ethanol;hydrochloride

C9H15ClN2O2 — CID 70295048

IUPACbenzohydrazide;ethanol;hydrochloride
SMILESCCO.Cl.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C2H6O.ClH/c8-9-7(10)6-4-2-1-3-5-6;1-2-3;/h1-5H,8H2,(H,9,10);3H,2H2,1H3;1H
InChIKeyMJUBTBQRLZLJRH-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.71
Rot. Bonds1

About benzohydrazide;ethanol;hydrochloride

benzohydrazide;ethanol;hydrochloride (PubChem CID 70295048) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is benzohydrazide;ethanol;hydrochloride.

Molecular Properties

Compound Namebenzohydrazide;ethanol;hydrochloride
PubChem CID70295048
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Namebenzohydrazide;ethanol;hydrochloride
SMILESCCO.Cl.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C2H6O.ClH/c8-9-7(10)6-4-2-1-3-5-6;1-2-3;/h1-5H,8H2,(H,9,10);3H,2H2,1H3;1H
InChIKeyMJUBTBQRLZLJRH-UHFFFAOYSA-N
XLogP0.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 157330335
4-fluorobenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of benzohydrazide;ethanol;hydrochloride?
The IUPAC name of benzohydrazide;ethanol;hydrochloride (CID 70295048) is benzohydrazide;ethanol;hydrochloride.
What is the SMILES notation for benzohydrazide;ethanol;hydrochloride?
The canonical SMILES for benzohydrazide;ethanol;hydrochloride is CCO.Cl.NNC(=O)c1ccccc1.
What is the InChIKey of benzohydrazide;ethanol;hydrochloride?
The InChIKey is MJUBTBQRLZLJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6O.ClH/c8-9-7(10)6-4-2-1-3-5-6;1-2-3;/h1-5H,8H2,(H,9,10);3H,2H2,1H3;1H.
What are the key properties of benzohydrazide;ethanol;hydrochloride?
benzohydrazide;ethanol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzohydrazide;ethanol;hydrochloride is sourced from PubChem (CID 70295048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).