(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine

C8H17NO2 — CID 134582855

IUPAC(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine
SMILESCCOC(OC)[C@@H]1CCNC1
InChIInChI=1S/C8H17NO2/c1-3-11-8(10-2)7-4-5-9-6-7/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyGGOKNJRVMKIJHX-GVHYBUMESA-N
MW159.23 g/mol
LogP0.60
Rot. Bonds4

About (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine

(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine (PubChem CID 134582855) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine
PubChem CID134582855
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine
SMILESCCOC(OC)[C@@H]1CCNC1
InChIInChI=1S/C8H17NO2/c1-3-11-8(10-2)7-4-5-9-6-7/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyGGOKNJRVMKIJHX-GVHYBUMESA-N
XLogP0.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.60
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 (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine (CID 134582855) is (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine is CCOC(OC)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine?
The InChIKey is GGOKNJRVMKIJHX-GVHYBUMESA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-11-8(10-2)7-4-5-9-6-7/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine?
(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[ethoxy(methoxy)methyl]pyrrolidine is sourced from PubChem (CID 134582855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).