2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid

C15H15NO2 — CID 66678150

IUPAC2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid
SMILESO=C(O)C1CCc2cc(-c3ccccc3)cn2C1
InChIInChI=1S/C15H15NO2/c17-15(18)12-6-7-14-8-13(10-16(14)9-12)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,18)
InChIKeyXWCXWUKCJXSUMU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.80
Rot. Bonds2

About 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid

2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid (PubChem CID 66678150) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid
PubChem CID66678150
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid
SMILESO=C(O)C1CCc2cc(-c3ccccc3)cn2C1
InChIInChI=1S/C15H15NO2/c17-15(18)12-6-7-14-8-13(10-16(14)9-12)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,18)
InChIKeyXWCXWUKCJXSUMU-UHFFFAOYSA-N
XLogP2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid (CID 66678150) is 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid is O=C(O)C1CCc2cc(-c3ccccc3)cn2C1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid?
The InChIKey is XWCXWUKCJXSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)12-6-7-14-8-13(10-16(14)9-12)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,18).
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid?
2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroindolizine-6-carboxylic acid is sourced from PubChem (CID 66678150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).