ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride

C14H18ClNO2 — CID 157064125

IUPACethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
SMILESCCOC(=O)C12CCN(CC1)c1ccccc12.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-13(16)14-7-9-15(10-8-14)12-6-4-3-5-11(12)14;/h3-6H,2,7-10H2,1H3;1H
InChIKeyABRCVGGHADQORC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.52
Rot. Bonds2

About ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride

ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride (PubChem CID 157064125) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
PubChem CID157064125
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
SMILESCCOC(=O)C12CCN(CC1)c1ccccc12.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-2-17-13(16)14-7-9-15(10-8-14)12-6-4-3-5-11(12)14;/h3-6H,2,7-10H2,1H3;1H
InChIKeyABRCVGGHADQORC-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
CID 24840076
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene-9-carboxylate
CID 89207064
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 1-(2-aminophenyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate
CID 68853998
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281

Frequently Asked Questions

What is the IUPAC name of ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride (CID 157064125) is ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride is CCOC(=O)C12CCN(CC1)c1ccccc12.Cl.
What is the InChIKey of ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride?
The InChIKey is ABRCVGGHADQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-2-17-13(16)14-7-9-15(10-8-14)12-6-4-3-5-11(12)14;/h3-6H,2,7-10H2,1H3;1H.
What are the key properties of ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride?
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride is sourced from PubChem (CID 157064125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).