1,8a-dihydroindolizine-1-carboxylic acid

C9H9NO2 — CID 67554095

IUPAC1,8a-dihydroindolizine-1-carboxylic acid
SMILESO=C(O)C1C=CN2C=CC=CC12
InChIInChI=1S/C9H9NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h1-8H,(H,11,12)
InChIKeyWEHFKHFCNGLVIT-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.97
Rot. Bonds1

About 1,8a-dihydroindolizine-1-carboxylic acid

1,8a-dihydroindolizine-1-carboxylic acid (PubChem CID 67554095) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,8a-dihydroindolizine-1-carboxylic acid.

Molecular Properties

Compound Name1,8a-dihydroindolizine-1-carboxylic acid
PubChem CID67554095
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1,8a-dihydroindolizine-1-carboxylic acid
SMILESO=C(O)C1C=CN2C=CC=CC12
InChIInChI=1S/C9H9NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h1-8H,(H,11,12)
InChIKeyWEHFKHFCNGLVIT-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydroindolizine-1-carboxylic acid?
The IUPAC name of 1,8a-dihydroindolizine-1-carboxylic acid (CID 67554095) is 1,8a-dihydroindolizine-1-carboxylic acid.
What is the SMILES notation for 1,8a-dihydroindolizine-1-carboxylic acid?
The canonical SMILES for 1,8a-dihydroindolizine-1-carboxylic acid is O=C(O)C1C=CN2C=CC=CC12.
What is the InChIKey of 1,8a-dihydroindolizine-1-carboxylic acid?
The InChIKey is WEHFKHFCNGLVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h1-8H,(H,11,12).
What are the key properties of 1,8a-dihydroindolizine-1-carboxylic acid?
1,8a-dihydroindolizine-1-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydroindolizine-1-carboxylic acid is sourced from PubChem (CID 67554095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).