(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione

C8H11NO2 — CID 643365

IUPAC(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione
SMILESO=C1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6H,1-5H2/t6-/m1/s1
InChIKeyOSQAYXCDJAOMDA-ZCFIWIBFSA-N
MW153.18 g/mol
LogP0.34
Rot. Bonds

About (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione

(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione (PubChem CID 643365) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione.

Molecular Properties

Compound Name(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione
PubChem CID643365
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione
SMILESO=C1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6H,1-5H2/t6-/m1/s1
InChIKeyOSQAYXCDJAOMDA-ZCFIWIBFSA-N
XLogP0.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione?
The IUPAC name of (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione (CID 643365) is (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione.
What is the SMILES notation for (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione?
The canonical SMILES for (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione is O=C1CCN2C(=O)CC[C@@H]2C1.
What is the InChIKey of (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione?
The InChIKey is OSQAYXCDJAOMDA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione?
(8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione has a molecular weight of 153.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1,2,5,6,8,8a-hexahydroindolizine-3,7-dione is sourced from PubChem (CID 643365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).