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

C9H15NO2 — CID 10511337

IUPAC(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1C(O)CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C9H15NO2/c1-6-7-2-3-9(12)10(7)5-4-8(6)11/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m0/s1
InChIKeyZCYHUNIAPKURRK-WPZUCAASSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds

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

(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 10511337) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID10511337
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1C(O)CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C9H15NO2/c1-6-7-2-3-9(12)10(7)5-4-8(6)11/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m0/s1
InChIKeyZCYHUNIAPKURRK-WPZUCAASSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 85303594
(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10702043
(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
(5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11288188
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
(1S,8aR)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102088326
(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
CID 130963611
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209

Frequently Asked Questions

What is the IUPAC name of (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 10511337) is (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C[C@@H]1C(O)CCN2C(=O)CC[C@@H]12.
What is the InChIKey of (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is ZCYHUNIAPKURRK-WPZUCAASSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-7-2-3-9(12)10(7)5-4-8(6)11/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m0/s1.
What are the key properties of (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 10511337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).