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

C10H17NO2 — CID 45091338

IUPAC(2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCCO[C@@H]1C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO2/c1-2-13-10-6-8-5-9(12)3-4-11(8)7-10/h8,10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyAIXQUKWBVVFVAL-PSASIEDQSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds2

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

(2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (PubChem CID 45091338) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
PubChem CID45091338
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCCO[C@@H]1C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO2/c1-2-13-10-6-8-5-9(12)3-4-11(8)7-10/h8,10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyAIXQUKWBVVFVAL-PSASIEDQSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-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 (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The IUPAC name of (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (CID 45091338) is (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.
What is the SMILES notation for (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The canonical SMILES for (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is CCO[C@@H]1C[C@H]2CC(=O)CCN2C1.
What is the InChIKey of (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The InChIKey is AIXQUKWBVVFVAL-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10-6-8-5-9(12)3-4-11(8)7-10/h8,10H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
(2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-ethoxy-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is sourced from PubChem (CID 45091338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).