1,2,5,8a-tetrahydroindolizine-3,8-dione

C8H9NO2 — CID 45115882

IUPAC1,2,5,8a-tetrahydroindolizine-3,8-dione
SMILESO=C1C=CCN2C(=O)CCC12
InChIInChI=1S/C8H9NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6H,3-5H2
InChIKeyUFXHDNXRYNIIFB-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.12
Rot. Bonds

About 1,2,5,8a-tetrahydroindolizine-3,8-dione

1,2,5,8a-tetrahydroindolizine-3,8-dione (PubChem CID 45115882) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1,2,5,8a-tetrahydroindolizine-3,8-dione.

Molecular Properties

Compound Name1,2,5,8a-tetrahydroindolizine-3,8-dione
PubChem CID45115882
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name1,2,5,8a-tetrahydroindolizine-3,8-dione
SMILESO=C1C=CCN2C(=O)CCC12
InChIInChI=1S/C8H9NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6H,3-5H2
InChIKeyUFXHDNXRYNIIFB-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,5,8a-tetrahydroindolizine-3,8-dione 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 1,2,5,8a-tetrahydroindolizine-3,8-dione?
The IUPAC name of 1,2,5,8a-tetrahydroindolizine-3,8-dione (CID 45115882) is 1,2,5,8a-tetrahydroindolizine-3,8-dione.
What is the SMILES notation for 1,2,5,8a-tetrahydroindolizine-3,8-dione?
The canonical SMILES for 1,2,5,8a-tetrahydroindolizine-3,8-dione is O=C1C=CCN2C(=O)CCC12.
What is the InChIKey of 1,2,5,8a-tetrahydroindolizine-3,8-dione?
The InChIKey is UFXHDNXRYNIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6H,3-5H2.
What are the key properties of 1,2,5,8a-tetrahydroindolizine-3,8-dione?
1,2,5,8a-tetrahydroindolizine-3,8-dione has a molecular weight of 151.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8a-tetrahydroindolizine-3,8-dione is sourced from PubChem (CID 45115882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).