(8aS)-6,8a-dihydro-3H-indolizin-5-one

C8H9NO — CID 10855504

IUPAC(8aS)-6,8a-dihydro-3H-indolizin-5-one
SMILESO=C1CC=C[C@H]2C=CCN12
InChIInChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyUQZANANSZTVBKA-ZETCQYMHSA-N
MW135.17 g/mol
LogP0.71
Rot. Bonds

About (8aS)-6,8a-dihydro-3H-indolizin-5-one

(8aS)-6,8a-dihydro-3H-indolizin-5-one (PubChem CID 10855504) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (8aS)-6,8a-dihydro-3H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-6,8a-dihydro-3H-indolizin-5-one
PubChem CID10855504
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(8aS)-6,8a-dihydro-3H-indolizin-5-one
SMILESO=C1CC=C[C@H]2C=CCN12
InChIInChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyUQZANANSZTVBKA-ZETCQYMHSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8aS)-6,8a-dihydro-3H-indolizin-5-one 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 (8aS)-6,8a-dihydro-3H-indolizin-5-one?
The IUPAC name of (8aS)-6,8a-dihydro-3H-indolizin-5-one (CID 10855504) is (8aS)-6,8a-dihydro-3H-indolizin-5-one.
What is the SMILES notation for (8aS)-6,8a-dihydro-3H-indolizin-5-one?
The canonical SMILES for (8aS)-6,8a-dihydro-3H-indolizin-5-one is O=C1CC=C[C@H]2C=CCN12.
What is the InChIKey of (8aS)-6,8a-dihydro-3H-indolizin-5-one?
The InChIKey is UQZANANSZTVBKA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1-4,7H,5-6H2/t7-/m0/s1.
What are the key properties of (8aS)-6,8a-dihydro-3H-indolizin-5-one?
(8aS)-6,8a-dihydro-3H-indolizin-5-one has a molecular weight of 135.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-6,8a-dihydro-3H-indolizin-5-one is sourced from PubChem (CID 10855504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).