ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate

C10H11ClN2O3 — CID 3646150

IUPACethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-2-16-10(15)9(14)13-12-8-5-3-7(11)4-6-8/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyIDYLOMJSJGBBMS-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate (PubChem CID 3646150) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate
PubChem CID3646150
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Nameethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-2-16-10(15)9(14)13-12-8-5-3-7(11)4-6-8/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyIDYLOMJSJGBBMS-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate (CID 3646150) is ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate?
The InChIKey is IDYLOMJSJGBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-2-16-10(15)9(14)13-12-8-5-3-7(11)4-6-8/h3-6,12H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate has a molecular weight of 242.66 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 3646150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).