1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 126796367

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC2CCCCN21
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)8-5-4-7-3-1-2-6-10(7)8;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyATOMFAPNKKTGAQ-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.51
Rot. Bonds1

About 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride

1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride (PubChem CID 126796367) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
PubChem CID126796367
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC2CCCCN21
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)8-5-4-7-3-1-2-6-10(7)8;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyATOMFAPNKKTGAQ-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride (CID 126796367) is 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCC2CCCCN21.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride?
The InChIKey is ATOMFAPNKKTGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-9(12)8-5-4-7-3-1-2-6-10(7)8;/h7-8H,1-6H2,(H,11,12);1H.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride?
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 126796367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).