(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine

C9H19NO — CID 58134443

IUPAC(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine
SMILESCCO[C@@H]1C[C@@H](CC)N(C)C1
InChIInChI=1S/C9H19NO/c1-4-8-6-9(11-5-2)7-10(8)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyXZIIHCLBUAYJKI-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine

(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine (PubChem CID 58134443) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine
PubChem CID58134443
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine
SMILESCCO[C@@H]1C[C@@H](CC)N(C)C1
InChIInChI=1S/C9H19NO/c1-4-8-6-9(11-5-2)7-10(8)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyXZIIHCLBUAYJKI-RKDXNWHRSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine?
The IUPAC name of (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine (CID 58134443) is (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine?
The canonical SMILES for (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine is CCO[C@@H]1C[C@@H](CC)N(C)C1.
What is the InChIKey of (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine?
The InChIKey is XZIIHCLBUAYJKI-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8-6-9(11-5-2)7-10(8)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine?
(2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethoxy-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 58134443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).