8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one

C8H11NO2 — CID 132524813

IUPAC8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
SMILESO=C1C=CC2(O)CCCCN12
InChIInChI=1S/C8H11NO2/c10-7-3-5-8(11)4-1-2-6-9(7)8/h3,5,11H,1-2,4,6H2
InChIKeyMJPNAFXIJCBHCB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.26
Rot. Bonds

About 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one

8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 132524813) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID132524813
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
SMILESO=C1C=CC2(O)CCCCN12
InChIInChI=1S/C8H11NO2/c10-7-3-5-8(11)4-1-2-6-9(7)8/h3,5,11H,1-2,4,6H2
InChIKeyMJPNAFXIJCBHCB-UHFFFAOYSA-N
XLogP0.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
CID 10797118
5-Hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524818
8a-Hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132524819
(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822149

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one (CID 132524813) is 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one is O=C1C=CC2(O)CCCCN12.
What is the InChIKey of 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is MJPNAFXIJCBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-3-5-8(11)4-1-2-6-9(7)8/h3,5,11H,1-2,4,6H2.
What are the key properties of 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 132524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).