(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine

C10H21NO2 — CID 66596328

IUPAC(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine
SMILESCCCO[C@@H]1CN(C)C[C@H]1OCC
InChIInChI=1S/C10H21NO2/c1-4-6-13-10-8-11(3)7-9(10)12-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyJXBKRHLDCOFRFA-NXEZZACHSA-N
MW187.28 g/mol
LogP1.13
Rot. Bonds5

About (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine

(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine (PubChem CID 66596328) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine
PubChem CID66596328
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine
SMILESCCCO[C@@H]1CN(C)C[C@H]1OCC
InChIInChI=1S/C10H21NO2/c1-4-6-13-10-8-11(3)7-9(10)12-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyJXBKRHLDCOFRFA-NXEZZACHSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine 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 (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine?
The IUPAC name of (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine (CID 66596328) is (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine.
What is the SMILES notation for (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine?
The canonical SMILES for (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine is CCCO[C@@H]1CN(C)C[C@H]1OCC.
What is the InChIKey of (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine?
The InChIKey is JXBKRHLDCOFRFA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-13-10-8-11(3)7-9(10)12-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine?
(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine is sourced from PubChem (CID 66596328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).