benzyl 2-[(E)-hydrazinylidenemethyl]benzoate

C15H14N2O2 — CID 145402503

IUPACbenzyl 2-[(E)-hydrazinylidenemethyl]benzoate
SMILESN/N=C/c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H14N2O2/c16-17-10-13-8-4-5-9-14(13)15(18)19-11-12-6-2-1-3-7-12/h1-10H,11,16H2/b17-10+
InChIKeyUPTJJMOTDMZQAW-LICLKQGHSA-N
MW254.29 g/mol
LogP2.34
Rot. Bonds4

About benzyl 2-[(E)-hydrazinylidenemethyl]benzoate

benzyl 2-[(E)-hydrazinylidenemethyl]benzoate (PubChem CID 145402503) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is benzyl 2-[(E)-hydrazinylidenemethyl]benzoate.

Molecular Properties

Compound Namebenzyl 2-[(E)-hydrazinylidenemethyl]benzoate
PubChem CID145402503
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namebenzyl 2-[(E)-hydrazinylidenemethyl]benzoate
SMILESN/N=C/c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H14N2O2/c16-17-10-13-8-4-5-9-14(13)15(18)19-11-12-6-2-1-3-7-12/h1-10H,11,16H2/b17-10+
InChIKeyUPTJJMOTDMZQAW-LICLKQGHSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl benzoate
CID 2345
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 2-ethenyl-4-methylbenzoate
CID 172649011

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(E)-hydrazinylidenemethyl]benzoate?
The IUPAC name of benzyl 2-[(E)-hydrazinylidenemethyl]benzoate (CID 145402503) is benzyl 2-[(E)-hydrazinylidenemethyl]benzoate.
What is the SMILES notation for benzyl 2-[(E)-hydrazinylidenemethyl]benzoate?
The canonical SMILES for benzyl 2-[(E)-hydrazinylidenemethyl]benzoate is N/N=C/c1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(E)-hydrazinylidenemethyl]benzoate?
The InChIKey is UPTJJMOTDMZQAW-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-17-10-13-8-4-5-9-14(13)15(18)19-11-12-6-2-1-3-7-12/h1-10H,11,16H2/b17-10+.
What are the key properties of benzyl 2-[(E)-hydrazinylidenemethyl]benzoate?
benzyl 2-[(E)-hydrazinylidenemethyl]benzoate has a molecular weight of 254.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(E)-hydrazinylidenemethyl]benzoate is sourced from PubChem (CID 145402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).