8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one

C9H15NO2 — CID 10855904

IUPAC8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC1CCCN2C(=O)CCC12O
InChIInChI=1S/C9H15NO2/c1-7-3-2-6-10-8(11)4-5-9(7,10)12/h7,12H,2-6H2,1H3
InChIKeyNNJDSVNNFRVGRB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.73
Rot. Bonds

About 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one

8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 10855904) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID10855904
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC1CCCN2C(=O)CCC12O
InChIInChI=1S/C9H15NO2/c1-7-3-2-6-10-8(11)4-5-9(7,10)12/h7,12H,2-6H2,1H3
InChIKeyNNJDSVNNFRVGRB-UHFFFAOYSA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(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
8a-Hydroxy-1-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 85741807
7-Hydroxy-7-methyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
CID 85783013
(8R,8aR)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002229
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209
(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
(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10511337

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 10855904) is 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is CC1CCCN2C(=O)CCC12O.
What is the InChIKey of 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is NNJDSVNNFRVGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-3-2-6-10-8(11)4-5-9(7,10)12/h7,12H,2-6H2,1H3.
What are the key properties of 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 10855904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).