ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride

C16H22ClNO2 — CID 24840076

IUPACethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C12CCN(C)C(Cc3ccccc31)C2.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-3-19-15(18)16-8-9-17(2)13(11-16)10-12-6-4-5-7-14(12)16;/h4-7,13H,3,8-11H2,1-2H3;1H
InChIKeyWEWUSVBWSCZTTJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.56
Rot. Bonds2

About ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride

ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride (PubChem CID 24840076) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
PubChem CID24840076
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C12CCN(C)C(Cc3ccccc31)C2.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-3-19-15(18)16-8-9-17(2)13(11-16)10-12-6-4-5-7-14(12)16;/h4-7,13H,3,8-11H2,1-2H3;1H
InChIKeyWEWUSVBWSCZTTJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 3076324
1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 45094601
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
CID 14271439
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800

Frequently Asked Questions

What is the IUPAC name of ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride (CID 24840076) is ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride is CCOC(=O)C12CCN(C)C(Cc3ccccc31)C2.Cl.
What is the InChIKey of ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride?
The InChIKey is WEWUSVBWSCZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-3-19-15(18)16-8-9-17(2)13(11-16)10-12-6-4-5-7-14(12)16;/h4-7,13H,3,8-11H2,1-2H3;1H.
What are the key properties of ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride?
ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride is sourced from PubChem (CID 24840076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).