methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride

C9H11ClN2O3 — CID 122507435

IUPACmethyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(C(=O)NN)c1.Cl
InChIInChI=1S/C9H10N2O3.ClH/c1-14-9(13)7-4-2-3-6(5-7)8(12)11-10;/h2-5H,10H2,1H3,(H,11,12);1H
InChIKeyGAMVSCJRJYHCMJ-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.50
Rot. Bonds2

About methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride

methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride (PubChem CID 122507435) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
PubChem CID122507435
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Namemethyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(C(=O)NN)c1.Cl
InChIInChI=1S/C9H10N2O3.ClH/c1-14-9(13)7-4-2-3-6(5-7)8(12)11-10;/h2-5H,10H2,1H3,(H,11,12);1H
InChIKeyGAMVSCJRJYHCMJ-UHFFFAOYSA-N
XLogP0.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.50
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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Related Compounds

ethyl 3-(hydrazinecarbonyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride?
The IUPAC name of methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride (CID 122507435) is methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride is COC(=O)c1cccc(C(=O)NN)c1.Cl.
What is the InChIKey of methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride?
The InChIKey is GAMVSCJRJYHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.ClH/c1-14-9(13)7-4-2-3-6(5-7)8(12)11-10;/h2-5H,10H2,1H3,(H,11,12);1H.
What are the key properties of methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride?
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride has a molecular weight of 230.65 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride is sourced from PubChem (CID 122507435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).