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

C11H17NO3 — CID 102439849

IUPAC8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(=O)CC1CCCN2C(=O)CCC12O
InChIInChI=1S/C11H17NO3/c1-8(13)7-9-3-2-6-12-10(14)4-5-11(9,12)15/h9,15H,2-7H2,1H3
InChIKeyKMDYPMNQKFUZMA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.69
Rot. Bonds2

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

8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 102439849) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID102439849
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(=O)CC1CCCN2C(=O)CCC12O
InChIInChI=1S/C11H17NO3/c1-8(13)7-9-3-2-6-12-10(14)4-5-11(9,12)15/h9,15H,2-7H2,1H3
InChIKeyKMDYPMNQKFUZMA-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7,8,8-Tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one
CID 135019632
(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10726184
8a-Hydroxy-1-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 85741807
(8R,8aR)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002229
(7R,8aS)-8,8-difluoro-8a-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 42645428
(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
(3aR,7aS)-3-hydroxy-2,3-dimethyl-3a,4,5,6,7,7a-hexahydroisoindol-1-one
CID 141804850
8a-hydroxy-8-methylhexahydro-3(2H)-indolizinone
CID 10855904
5-Hexyl-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10989312
(8R,8aS)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 15427513
8a-Hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 85247231

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 102439849) is 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one is CC(=O)CC1CCCN2C(=O)CCC12O.
What is the InChIKey of 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is KMDYPMNQKFUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)7-9-3-2-6-12-10(14)4-5-11(9,12)15/h9,15H,2-7H2,1H3.
What are the key properties of 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 102439849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).