methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 43810933

IUPACmethyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12CCC(CC1)N2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-7(10)8-4-2-6(9-8)3-5-8;/h6,9H,2-5H2,1H3;1H
InChIKeyYZVQVEJBYHDRGQ-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds1

About methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride

methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride (PubChem CID 43810933) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
PubChem CID43810933
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12CCC(CC1)N2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-7(10)8-4-2-6(9-8)3-5-8;/h6,9H,2-5H2,1H3;1H
InChIKeyYZVQVEJBYHDRGQ-UHFFFAOYSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-azabicyclo[2.2.1]heptane-1-carboxylic Acid
CID 10725441
Methyl 2-azabicyclo(2.2.1)heptane-3-carboxylate hydrochloride
CID 20487957
7-Azabicyclo(2.2.1)heptane-1-carboxylic acid hydrochloride
CID 20850000
methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride
CID 45358493
Methyl 4-azaspiro(2.4)heptane-5-carboxylate
CID 84048937
Methyl 5-azaspiro(3.4)octane-6-carboxylate
CID 84075561
Methyl 2-azaspiro(4.5)decane-3-carboxylate hydrochloride
CID 138039802
Methyl (1s)-3-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate hydrochloride
CID 165713009
methyl (1R,4S)-2-oxo-7-azoniabicyclo[2.2.1]heptane-1-carboxylate;2,2,2-trifluoroacetate
CID 11055148
Methyl 2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 13206021
Methyl 3,3-difluoro-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 117706998
methyl (1S,4R)-2-oxo-7-azoniabicyclo[2.2.1]heptane-1-carboxylate;2,2,2-trifluoroacetate
CID 10924045

Frequently Asked Questions

What is the IUPAC name of methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride (CID 43810933) is methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride is COC(=O)C12CCC(CC1)N2.Cl.
What is the InChIKey of methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride?
The InChIKey is YZVQVEJBYHDRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-11-7(10)8-4-2-6(9-8)3-5-8;/h6,9H,2-5H2,1H3;1H.
What are the key properties of methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride?
methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate;hydrochloride is sourced from PubChem (CID 43810933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).