6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one

C8H10FNO — CID 45088451

IUPAC6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC=C(F)CN12
InChIInChI=1S/C8H10FNO/c9-6-1-2-7-3-4-8(11)10(7)5-6/h1,7H,2-5H2
InChIKeyHRKHSQSTUBIAPQ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.23
Rot. Bonds

About 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one

6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one (PubChem CID 45088451) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one
PubChem CID45088451
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC=C(F)CN12
InChIInChI=1S/C8H10FNO/c9-6-1-2-7-3-4-8(11)10(7)5-6/h1,7H,2-5H2
InChIKeyHRKHSQSTUBIAPQ-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Succinimidylcyclohexene
CID 13386938
1-Cyclohex-2-en-1-ylpyrrolidin-2-one
CID 14074666
1,5,6,8a-tetrahydro-3(2H)-indolizinone
CID 10887976
8a-Prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 121450182
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395
7-Methyl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 11829507
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
(9Z,10aR)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 44598023
(9Z,10aS)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 45103030
8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 73115230
1,2,5,6,7,9a-Hexahydropyrrolo[1,2-a]azepin-3-one
CID 92020725
(8aS)-8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 101720950

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The IUPAC name of 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one (CID 45088451) is 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one is O=C1CCC2CC=C(F)CN12.
What is the InChIKey of 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The InChIKey is HRKHSQSTUBIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-6-1-2-7-3-4-8(11)10(7)5-6/h1,7H,2-5H2.
What are the key properties of 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one has a molecular weight of 155.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 45088451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).