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

C8H11NO2 — CID 83671095

IUPAC2,3,6,7,8,8a-hexahydroindolizine-1,5-dione
SMILESO=C1CCN2C(=O)CCCC12
InChIInChI=1S/C8H11NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6H,1-5H2
InChIKeyZOBVPFYDIUBSGH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.34
Rot. Bonds

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

2,3,6,7,8,8a-hexahydroindolizine-1,5-dione (PubChem CID 83671095) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione.

Molecular Properties

Compound Name2,3,6,7,8,8a-hexahydroindolizine-1,5-dione
PubChem CID83671095
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,3,6,7,8,8a-hexahydroindolizine-1,5-dione
SMILESO=C1CCN2C(=O)CCCC12
InChIInChI=1S/C8H11NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6H,1-5H2
InChIKeyZOBVPFYDIUBSGH-UHFFFAOYSA-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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Related Compounds

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CID 13818693
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CID 12345000
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CID 11790113
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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione?
The IUPAC name of 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione (CID 83671095) is 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione.
What is the SMILES notation for 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione?
The canonical SMILES for 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione is O=C1CCN2C(=O)CCCC12.
What is the InChIKey of 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione?
The InChIKey is ZOBVPFYDIUBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6H,1-5H2.
What are the key properties of 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione?
2,3,6,7,8,8a-hexahydroindolizine-1,5-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 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione is sourced from PubChem (CID 83671095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).