ethyl 3-hydrazinylnaphthalene-1-carboxylate

C13H14N2O2 — CID 67271150

IUPACethyl 3-hydrazinylnaphthalene-1-carboxylate
SMILESCCOC(=O)c1cc(NN)cc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)12-8-10(15-14)7-9-5-3-4-6-11(9)12/h3-8,15H,2,14H2,1H3
InChIKeyYSFWHZGNOFIEPC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.30
Rot. Bonds3

About ethyl 3-hydrazinylnaphthalene-1-carboxylate

ethyl 3-hydrazinylnaphthalene-1-carboxylate (PubChem CID 67271150) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 3-hydrazinylnaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydrazinylnaphthalene-1-carboxylate
PubChem CID67271150
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 3-hydrazinylnaphthalene-1-carboxylate
SMILESCCOC(=O)c1cc(NN)cc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)12-8-10(15-14)7-9-5-3-4-6-11(9)12/h3-8,15H,2,14H2,1H3
InChIKeyYSFWHZGNOFIEPC-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-hydrazinyl-2-iodobenzoate
CID 130775053
ethyl chrysene-1-carboxylate
CID 86251232
ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
(3-ethylnaphthalene-1-carbonyl) 3-ethylnaphthalene-1-carboperoxoate
CID 139830003
ethyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43910406
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
ethyl 3-oxobenzo[f]chromene-1-carboxylate
CID 11161494
3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
ethyl 4-hydrazinyl-2-sulfamoylbenzoate
CID 14837219
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydrazinylnaphthalene-1-carboxylate?
The IUPAC name of ethyl 3-hydrazinylnaphthalene-1-carboxylate (CID 67271150) is ethyl 3-hydrazinylnaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 3-hydrazinylnaphthalene-1-carboxylate?
The canonical SMILES for ethyl 3-hydrazinylnaphthalene-1-carboxylate is CCOC(=O)c1cc(NN)cc2ccccc12.
What is the InChIKey of ethyl 3-hydrazinylnaphthalene-1-carboxylate?
The InChIKey is YSFWHZGNOFIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-13(16)12-8-10(15-14)7-9-5-3-4-6-11(9)12/h3-8,15H,2,14H2,1H3.
What are the key properties of ethyl 3-hydrazinylnaphthalene-1-carboxylate?
ethyl 3-hydrazinylnaphthalene-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydrazinylnaphthalene-1-carboxylate is sourced from PubChem (CID 67271150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).