methyl 4-(hydrazinecarbonyl)benzoate

C9H10N2O3 — CID 596004

IUPACmethyl 4-(hydrazinecarbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)7-4-2-6(3-5-7)8(12)11-10/h2-5H,10H2,1H3,(H,11,12)
InChIKeyHGVBEQHEDXPHBI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.08
Rot. Bonds2

About methyl 4-(hydrazinecarbonyl)benzoate

methyl 4-(hydrazinecarbonyl)benzoate (PubChem CID 596004) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 4-(hydrazinecarbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(hydrazinecarbonyl)benzoate
PubChem CID596004
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 4-(hydrazinecarbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)7-4-2-6(3-5-7)8(12)11-10/h2-5H,10H2,1H3,(H,11,12)
InChIKeyHGVBEQHEDXPHBI-UHFFFAOYSA-N
XLogP0.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydrazinecarbonyl)benzoate?
The IUPAC name of methyl 4-(hydrazinecarbonyl)benzoate (CID 596004) is methyl 4-(hydrazinecarbonyl)benzoate.
What is the SMILES notation for methyl 4-(hydrazinecarbonyl)benzoate?
The canonical SMILES for methyl 4-(hydrazinecarbonyl)benzoate is COC(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of methyl 4-(hydrazinecarbonyl)benzoate?
The InChIKey is HGVBEQHEDXPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-9(13)7-4-2-6(3-5-7)8(12)11-10/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of methyl 4-(hydrazinecarbonyl)benzoate?
methyl 4-(hydrazinecarbonyl)benzoate has a molecular weight of 194.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydrazinecarbonyl)benzoate is sourced from PubChem (CID 596004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).