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

C10H17NO2 — CID 102151511

IUPAC(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@H]1C[C@@H](O)[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C10H17NO2/c1-2-7-5-9(12)8-3-4-10(13)11(8)6-7/h7-9,12H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyPCXYAUHQIGORFD-XHNCKOQMSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds1

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

(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 102151511) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID102151511
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@H]1C[C@@H](O)[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C10H17NO2/c1-2-7-5-9(12)8-3-4-10(13)11(8)6-7/h7-9,12H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyPCXYAUHQIGORFD-XHNCKOQMSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 102151511) is (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC[C@H]1C[C@@H](O)[C@@H]2CCC(=O)N2C1.
What is the InChIKey of (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is PCXYAUHQIGORFD-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-7-5-9(12)8-3-4-10(13)11(8)6-7/h7-9,12H,2-6H2,1H3/t7-,8-,9+/m0/s1.
What are the key properties of (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 102151511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).