(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride

C9H14ClNO2 — CID 175639849

IUPAC(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride
SMILESCN1[C@H]2CC=C(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;/h4,6,8H,2-3,5H2,1H3,(H,11,12);1H/t6-,8+;/m0./s1
InChIKeySLTJQTJRCKGLGT-QDOHZIMISA-N
MW203.67 g/mol
LogP1.29
Rot. Bonds1

About (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride

(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride (PubChem CID 175639849) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride
PubChem CID175639849
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride
SMILESCN1[C@H]2CC=C(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;/h4,6,8H,2-3,5H2,1H3,(H,11,12);1H/t6-,8+;/m0./s1
InChIKeySLTJQTJRCKGLGT-QDOHZIMISA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride?
The IUPAC name of (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride (CID 175639849) is (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride is CN1[C@H]2CC=C(C(=O)O)[C@H]1CC2.Cl.
What is the InChIKey of (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride?
The InChIKey is SLTJQTJRCKGLGT-QDOHZIMISA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h4,6,8H,2-3,5H2,1H3,(H,11,12);1H/t6-,8+;/m0./s1.
What are the key properties of (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride?
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 175639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).