methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride

C9H16ClNO2 — CID 155973025

IUPACmethyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride
SMILESCCC12CNC(C(=O)OC)(C1)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-8-4-9(5-8,10-6-8)7(11)12-2;/h10H,3-6H2,1-2H3;1H
InChIKeyZFQLFCWWUNYQGO-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.11
Rot. Bonds2

About methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride

methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride (PubChem CID 155973025) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride
PubChem CID155973025
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride
SMILESCCC12CNC(C(=O)OC)(C1)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-8-4-9(5-8,10-6-8)7(11)12-2;/h10H,3-6H2,1-2H3;1H
InChIKeyZFQLFCWWUNYQGO-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride (CID 155973025) is methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride is CCC12CNC(C(=O)OC)(C1)C2.Cl.
What is the InChIKey of methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride?
The InChIKey is ZFQLFCWWUNYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-3-8-4-9(5-8,10-6-8)7(11)12-2;/h10H,3-6H2,1-2H3;1H.
What are the key properties of methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride?
methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 155973025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).