8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde

C9H9NO2 — CID 11542831

IUPAC8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCCC2=O
InChIInChI=1S/C9H9NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,6H,1-2,5H2
InChIKeyZMOJVBLQSPADHN-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.28
Rot. Bonds1

About 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde

8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde (PubChem CID 11542831) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde.

Molecular Properties

Compound Name8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde
PubChem CID11542831
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCCC2=O
InChIInChI=1S/C9H9NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,6H,1-2,5H2
InChIKeyZMOJVBLQSPADHN-UHFFFAOYSA-N
XLogP1.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde?
The IUPAC name of 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde (CID 11542831) is 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde.
What is the SMILES notation for 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde?
The canonical SMILES for 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde is O=Cc1ccc2n1CCCC2=O.
What is the InChIKey of 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde?
The InChIKey is ZMOJVBLQSPADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,6H,1-2,5H2.
What are the key properties of 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde?
8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-6,7-dihydro-5H-indolizine-3-carbaldehyde is sourced from PubChem (CID 11542831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).