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

C13H23NO — CID 59961741

IUPAC(1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCC1[C@@H](C)[C@@H](C)C2C(C)CCC(=O)N12
InChIInChI=1S/C13H23NO/c1-5-11-9(3)10(4)13-8(2)6-7-12(15)14(11)13/h8-11,13H,5-7H2,1-4H3/t8?,9-,10+,11?,13?/m0/s1
InChIKeyJEOAFIQDZNGWGQ-MBIUHZTHSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds1

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

(1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 59961741) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID59961741
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCC1[C@@H](C)[C@@H](C)C2C(C)CCC(=O)N12
InChIInChI=1S/C13H23NO/c1-5-11-9(3)10(4)13-8(2)6-7-12(15)14(11)13/h8-11,13H,5-7H2,1-4H3/t8?,9-,10+,11?,13?/m0/s1
InChIKeyJEOAFIQDZNGWGQ-MBIUHZTHSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-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 (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 59961741) is (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CCC1[C@@H](C)[C@@H](C)C2C(C)CCC(=O)N12.
What is the InChIKey of (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is JEOAFIQDZNGWGQ-MBIUHZTHSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11-9(3)10(4)13-8(2)6-7-12(15)14(11)13/h8-11,13H,5-7H2,1-4H3/t8?,9-,10+,11?,13?/m0/s1.
What are the key properties of (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 209.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-ethyl-1,2,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 59961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).