(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride

C9H14ClNO2 — CID 21118679

IUPAC(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride
SMILESCN1C2C=CC(C(=O)O)[C@H]1CC2.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h2,4,6-8H,3,5H2,1H3,(H,11,12);1H/t6?,7?,8-;/m1./s1
InChIKeyKZIXZQUAHHPICK-XJRLSETOSA-N
MW203.67 g/mol
LogP1.14
Rot. Bonds1

About (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride

(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride (PubChem CID 21118679) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride
PubChem CID21118679
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride
SMILESCN1C2C=CC(C(=O)O)[C@H]1CC2.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h2,4,6-8H,3,5H2,1H3,(H,11,12);1H/t6?,7?,8-;/m1./s1
InChIKeyKZIXZQUAHHPICK-XJRLSETOSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride?
The IUPAC name of (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride (CID 21118679) is (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride is CN1C2C=CC(C(=O)O)[C@H]1CC2.Cl.
What is the InChIKey of (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride?
The InChIKey is KZIXZQUAHHPICK-XJRLSETOSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h2,4,6-8H,3,5H2,1H3,(H,11,12);1H/t6?,7?,8-;/m1./s1.
What are the key properties of (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride?
(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 21118679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).