(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine

C11H23NO — CID 54016731

IUPAC(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
SMILESCCC[C@@H]1C[C@@H](C(C)OC)N(C)C1
InChIInChI=1S/C11H23NO/c1-5-6-10-7-11(9(2)13-4)12(3)8-10/h9-11H,5-8H2,1-4H3/t9?,10-,11+/m1/s1
InChIKeyKWDJZSCFIPLDMC-ZOCYIJKUSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine

(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine (PubChem CID 54016731) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
PubChem CID54016731
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
SMILESCCC[C@@H]1C[C@@H](C(C)OC)N(C)C1
InChIInChI=1S/C11H23NO/c1-5-6-10-7-11(9(2)13-4)12(3)8-10/h9-11H,5-8H2,1-4H3/t9?,10-,11+/m1/s1
InChIKeyKWDJZSCFIPLDMC-ZOCYIJKUSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine?
The IUPAC name of (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine (CID 54016731) is (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine.
What is the SMILES notation for (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine?
The canonical SMILES for (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine is CCC[C@@H]1C[C@@H](C(C)OC)N(C)C1.
What is the InChIKey of (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine?
The InChIKey is KWDJZSCFIPLDMC-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-10-7-11(9(2)13-4)12(3)8-10/h9-11H,5-8H2,1-4H3/t9?,10-,11+/m1/s1.
What are the key properties of (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine?
(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine is sourced from PubChem (CID 54016731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).