8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione

C8H11NO3 — CID 11030246

IUPAC8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione
SMILESO=C1CCCC2(O)CCC(=O)N12
InChIInChI=1S/C8H11NO3/c10-6-2-1-4-8(12)5-3-7(11)9(6)8/h12H,1-5H2
InChIKeyCPNCKBRNKCKNEV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.01
Rot. Bonds

About 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione

8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione (PubChem CID 11030246) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione.

Molecular Properties

Compound Name8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione
PubChem CID11030246
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione
SMILESO=C1CCCC2(O)CCC(=O)N12
InChIInChI=1S/C8H11NO3/c10-6-2-1-4-8(12)5-3-7(11)9(6)8/h12H,1-5H2
InChIKeyCPNCKBRNKCKNEV-UHFFFAOYSA-N
XLogP0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione?
The IUPAC name of 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione (CID 11030246) is 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione.
What is the SMILES notation for 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione?
The canonical SMILES for 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione is O=C1CCCC2(O)CCC(=O)N12.
What is the InChIKey of 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione?
The InChIKey is CPNCKBRNKCKNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-2-1-4-8(12)5-3-7(11)9(6)8/h12H,1-5H2.
What are the key properties of 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione?
8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione has a molecular weight of 169.18 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione is sourced from PubChem (CID 11030246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).