(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine

C9H19NO2 — CID 15939067

IUPAC(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine
SMILESCCO[C@@H](C)OC[C@H]1CCCN1
InChIInChI=1S/C9H19NO2/c1-3-11-8(2)12-7-9-5-4-6-10-9/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyADWDWZNYYWISKX-RKDXNWHRSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine

(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine (PubChem CID 15939067) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine
PubChem CID15939067
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine
SMILESCCO[C@@H](C)OC[C@H]1CCCN1
InChIInChI=1S/C9H19NO2/c1-3-11-8(2)12-7-9-5-4-6-10-9/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyADWDWZNYYWISKX-RKDXNWHRSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine?
The IUPAC name of (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine (CID 15939067) is (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine is CCO[C@@H](C)OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine?
The InChIKey is ADWDWZNYYWISKX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-11-8(2)12-7-9-5-4-6-10-9/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine?
(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine is sourced from PubChem (CID 15939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).