8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one

C9H15NO2 — CID 101425579

IUPAC8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESO=C1CCCC2(CO)CCCN12
InChIInChI=1S/C9H15NO2/c11-7-9-4-1-3-8(12)10(9)6-2-5-9/h11H,1-7H2
InChIKeyBGXOYIGXRYFCHE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.52
Rot. Bonds1

About 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one

8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one (PubChem CID 101425579) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one.

Molecular Properties

Compound Name8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
PubChem CID101425579
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESO=C1CCCC2(CO)CCCN12
InChIInChI=1S/C9H15NO2/c11-7-9-4-1-3-8(12)10(9)6-2-5-9/h11H,1-7H2
InChIKeyBGXOYIGXRYFCHE-UHFFFAOYSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5(1H)-Indolizinone, hexahydro-8-hydroxy-, (8R,8aS)-(9CI)
CID 11051886
8-Hydroxy-5-indolizidinone
CID 72969522
(8S,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10749651
(8R,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10773453
(3S,8S,8aS)-8-hydroxy-3-(hydroxymethyl)-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11008929
(8r,8Ar)-8-hydroxy-5-indolizidinone
CID 15308054
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209
(8R,8aS)-8-hydroxy-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10678719
(8S,8aS)-8-hydroxy-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10997449
1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 14492006
1-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 69405570
(3S,6S,8aS)-6-hydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 89050126

Frequently Asked Questions

What is the IUPAC name of 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The IUPAC name of 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one (CID 101425579) is 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one.
What is the SMILES notation for 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The canonical SMILES for 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one is O=C1CCCC2(CO)CCCN12.
What is the InChIKey of 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
The InChIKey is BGXOYIGXRYFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-9-4-1-3-8(12)10(9)6-2-5-9/h11H,1-7H2.
What are the key properties of 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one?
8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one has a molecular weight of 169.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(hydroxymethyl)-1,2,3,6,7,8-hexahydroindolizin-5-one is sourced from PubChem (CID 101425579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).