ethyl 2-cyano-3-hydrazinylbenzoate

C10H11N3O2 — CID 134642108

IUPACethyl 2-cyano-3-hydrazinylbenzoate
SMILESCCOC(=O)c1cccc(NN)c1C#N
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)7-4-3-5-9(13-12)8(7)6-11/h3-5,13H,2,12H2,1H3
InChIKeyQZSATJRMTAGBRH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.02
Rot. Bonds3

About ethyl 2-cyano-3-hydrazinylbenzoate

ethyl 2-cyano-3-hydrazinylbenzoate (PubChem CID 134642108) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 2-cyano-3-hydrazinylbenzoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-hydrazinylbenzoate
PubChem CID134642108
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 2-cyano-3-hydrazinylbenzoate
SMILESCCOC(=O)c1cccc(NN)c1C#N
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)7-4-3-5-9(13-12)8(7)6-11/h3-5,13H,2,12H2,1H3
InChIKeyQZSATJRMTAGBRH-UHFFFAOYSA-N
XLogP1.02
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-chloro-2-cyanobenzoate
CID 14696600
ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate
CID 134654607
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
methyl 2-cyano-3-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 12715763
ethyl 2-(bromomethyl)-3-hydrazinylbenzoate
CID 134648707
ethyl 3-(3-bromo-2-oxopropyl)-2-cyanobenzoate
CID 134643967
methyl 2-cyano-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134649646
ethyl 2-bromo-6-hydrazinylbenzoate
CID 131011841
ethyl 3-bromo-2-cyano-4-fluorobenzoate
CID 131412018
methyl 2-cyano-3-ethylbenzoate
CID 129259589
ethyl 2,3-bis(fluoroamino)benzoate
CID 141129838
ethyl 3-cyano-2,4-dihydroxybenzoate
CID 131533377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-hydrazinylbenzoate?
The IUPAC name of ethyl 2-cyano-3-hydrazinylbenzoate (CID 134642108) is ethyl 2-cyano-3-hydrazinylbenzoate.
What is the SMILES notation for ethyl 2-cyano-3-hydrazinylbenzoate?
The canonical SMILES for ethyl 2-cyano-3-hydrazinylbenzoate is CCOC(=O)c1cccc(NN)c1C#N.
What is the InChIKey of ethyl 2-cyano-3-hydrazinylbenzoate?
The InChIKey is QZSATJRMTAGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)7-4-3-5-9(13-12)8(7)6-11/h3-5,13H,2,12H2,1H3.
What are the key properties of ethyl 2-cyano-3-hydrazinylbenzoate?
ethyl 2-cyano-3-hydrazinylbenzoate has a molecular weight of 205.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-hydrazinylbenzoate is sourced from PubChem (CID 134642108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).