ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 71757726

IUPACethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C12CC1CCN2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-7(10)8-5-6(8)3-4-9-8;/h6,9H,2-5H2,1H3;1H
InChIKeyIVDMSBUYKVFAHH-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.72
Rot. Bonds2

About ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride

ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride (PubChem CID 71757726) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
PubChem CID71757726
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Nameethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C12CC1CCN2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-7(10)8-5-6(8)3-4-9-8;/h6,9H,2-5H2,1H3;1H
InChIKeyIVDMSBUYKVFAHH-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl 2-fluorocyclopropane-1,1-dicarboxylate
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ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
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ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
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ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
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ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride
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benzyl (7aR)-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylate
CID 70554179
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
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ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride (CID 71757726) is ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride is CCOC(=O)C12CC1CCN2.Cl.
What is the InChIKey of ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The InChIKey is IVDMSBUYKVFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-2-11-7(10)8-5-6(8)3-4-9-8;/h6,9H,2-5H2,1H3;1H.
What are the key properties of ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 71757726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).