(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one

C9H15NO2 — CID 101209315

IUPAC(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one
SMILESC[C@@]1(O)CCCN2C(=O)CC[C@H]21
InChIInChI=1S/C9H15NO2/c1-9(12)5-2-6-10-7(9)3-4-8(10)11/h7,12H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyFWOWTCKXJBTRMT-IONNQARKSA-N
MW169.22 g/mol
LogP0.52
Rot. Bonds

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

(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one (PubChem CID 101209315) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one
PubChem CID101209315
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one
SMILESC[C@@]1(O)CCCN2C(=O)CC[C@H]21
InChIInChI=1S/C9H15NO2/c1-9(12)5-2-6-10-7(9)3-4-8(10)11/h7,12H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyFWOWTCKXJBTRMT-IONNQARKSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one with MolForge

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Related Compounds

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
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(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
8a-hydroxy-8-methylhexahydro-3(2H)-indolizinone
CID 10855904
(8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10953750
(7S,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 16043384
7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 73225542
8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 85344427
6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 86260733

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one?
The IUPAC name of (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one (CID 101209315) is (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one?
The canonical SMILES for (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one is C[C@@]1(O)CCCN2C(=O)CC[C@H]21.
What is the InChIKey of (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one?
The InChIKey is FWOWTCKXJBTRMT-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(12)5-2-6-10-7(9)3-4-8(10)11/h7,12H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one?
(8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-hydroxy-8-methyl-1,2,5,6,7,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 101209315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).