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

C9H15NO2 — CID 101002230

IUPAC(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@H]1CCCN2C(=O)CC[C@]12O
InChIInChI=1S/C9H15NO2/c1-7-3-2-6-10-8(11)4-5-9(7,10)12/h7,12H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyNNJDSVNNFRVGRB-CBAPKCEASA-N
MW169.22 g/mol
LogP0.73
Rot. Bonds

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

(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 101002230) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID101002230
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@H]1CCCN2C(=O)CC[C@]12O
InChIInChI=1S/C9H15NO2/c1-7-3-2-6-10-8(11)4-5-9(7,10)12/h7,12H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyNNJDSVNNFRVGRB-CBAPKCEASA-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

2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235080
(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
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(8S,8aR)-8-(hydroxymethyl)-3-oxo-1,2,5,6,7,8-hexahydroindolizine-8a-carbonitrile
CID 15480603
1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
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(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 70679860
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
(1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
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(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 7247996
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 101388379
(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one
CID 135038985
(8S,8aR)-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 127256799

Frequently Asked Questions

What is the IUPAC name of (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 101002230) is (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is C[C@H]1CCCN2C(=O)CC[C@]12O.
What is the InChIKey of (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is NNJDSVNNFRVGRB-CBAPKCEASA-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/t7-,9-/m0/s1.
What are the key properties of (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
(8S,8aS)-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 (8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 101002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).