indolizine-2-carboxylic acid

C9H7NO2 — CID 595143

IUPACindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2ccccn2c1
InChIInChI=1S/C9H7NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-6H,(H,11,12)
InChIKeyQSJHENXHFPTGKD-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.64
Rot. Bonds1

About indolizine-2-carboxylic acid

indolizine-2-carboxylic acid (PubChem CID 595143) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is indolizine-2-carboxylic acid.

Molecular Properties

Compound Nameindolizine-2-carboxylic acid
PubChem CID595143
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Nameindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2ccccn2c1
InChIInChI=1S/C9H7NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-6H,(H,11,12)
InChIKeyQSJHENXHFPTGKD-UHFFFAOYSA-N
XLogP1.64
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indolizine-2-carboxylic acid?
The IUPAC name of indolizine-2-carboxylic acid (CID 595143) is indolizine-2-carboxylic acid.
What is the SMILES notation for indolizine-2-carboxylic acid?
The canonical SMILES for indolizine-2-carboxylic acid is O=C(O)c1cc2ccccn2c1.
What is the InChIKey of indolizine-2-carboxylic acid?
The InChIKey is QSJHENXHFPTGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-6H,(H,11,12).
What are the key properties of indolizine-2-carboxylic acid?
indolizine-2-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-2-carboxylic acid is sourced from PubChem (CID 595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).