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

C9H9NO2 — CID 15480599

IUPAC3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde
SMILESO=CC1=C2C=CC(=O)N2CCC1
InChIInChI=1S/C9H9NO2/c11-6-7-2-1-5-10-8(7)3-4-9(10)12/h3-4,6H,1-2,5H2
InChIKeyMSPZWUSIMOKIBZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.63
Rot. Bonds1

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

3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde (PubChem CID 15480599) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde.

Molecular Properties

Compound Name3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde
PubChem CID15480599
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde
SMILESO=CC1=C2C=CC(=O)N2CCC1
InChIInChI=1S/C9H9NO2/c11-6-7-2-1-5-10-8(7)3-4-9(10)12/h3-4,6H,1-2,5H2
InChIKeyMSPZWUSIMOKIBZ-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde?
The IUPAC name of 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde (CID 15480599) is 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde.
What is the SMILES notation for 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde?
The canonical SMILES for 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde is O=CC1=C2C=CC(=O)N2CCC1.
What is the InChIKey of 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde?
The InChIKey is MSPZWUSIMOKIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-7-2-1-5-10-8(7)3-4-9(10)12/h3-4,6H,1-2,5H2.
What are the key properties of 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde?
3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde is sourced from PubChem (CID 15480599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).