ethyl 3-(hydrazinecarbonyl)benzoate

C10H12N2O3 — CID 131844336

IUPACethyl 3-(hydrazinecarbonyl)benzoate
SMILESCCOC(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)8-5-3-4-7(6-8)9(13)12-11/h3-6H,2,11H2,1H3,(H,12,13)
InChIKeyLJCBTNDLNJFABS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds3

About ethyl 3-(hydrazinecarbonyl)benzoate

ethyl 3-(hydrazinecarbonyl)benzoate (PubChem CID 131844336) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 3-(hydrazinecarbonyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(hydrazinecarbonyl)benzoate
PubChem CID131844336
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 3-(hydrazinecarbonyl)benzoate
SMILESCCOC(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)8-5-3-4-7(6-8)9(13)12-11/h3-6H,2,11H2,1H3,(H,12,13)
InChIKeyLJCBTNDLNJFABS-UHFFFAOYSA-N
XLogP0.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.47
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

diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
ethyl 3-acetylbenzoate
CID 11298463
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479
ethyl 3-(125I)iodobenzoate
CID 122674762
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(aminomethyl)benzoate
CID 15079215
lithium 3-ethoxycarbonylbenzenesulfonate
CID 161286233
3-O-decyl 1-O-ethyl benzene-1,3-dicarboxylate
CID 525144
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydrazinecarbonyl)benzoate?
The IUPAC name of ethyl 3-(hydrazinecarbonyl)benzoate (CID 131844336) is ethyl 3-(hydrazinecarbonyl)benzoate.
What is the SMILES notation for ethyl 3-(hydrazinecarbonyl)benzoate?
The canonical SMILES for ethyl 3-(hydrazinecarbonyl)benzoate is CCOC(=O)c1cccc(C(=O)NN)c1.
What is the InChIKey of ethyl 3-(hydrazinecarbonyl)benzoate?
The InChIKey is LJCBTNDLNJFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)8-5-3-4-7(6-8)9(13)12-11/h3-6H,2,11H2,1H3,(H,12,13).
What are the key properties of ethyl 3-(hydrazinecarbonyl)benzoate?
ethyl 3-(hydrazinecarbonyl)benzoate has a molecular weight of 208.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydrazinecarbonyl)benzoate is sourced from PubChem (CID 131844336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).