2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine

C10H15NO2 — CID 89043833

IUPAC2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine
SMILESCCN1CCCC1C1=COC=CO1
InChIInChI=1S/C10H15NO2/c1-2-11-5-3-4-9(11)10-8-12-6-7-13-10/h6-9H,2-5H2,1H3
InChIKeyDDWWKKZMMGWLKA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.83
Rot. Bonds2

About 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine

2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine (PubChem CID 89043833) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine
PubChem CID89043833
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine
SMILESCCN1CCCC1C1=COC=CO1
InChIInChI=1S/C10H15NO2/c1-2-11-5-3-4-9(11)10-8-12-6-7-13-10/h6-9H,2-5H2,1H3
InChIKeyDDWWKKZMMGWLKA-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine?
The IUPAC name of 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine (CID 89043833) is 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine?
The canonical SMILES for 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine is CCN1CCCC1C1=COC=CO1.
What is the InChIKey of 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine?
The InChIKey is DDWWKKZMMGWLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-11-5-3-4-9(11)10-8-12-6-7-13-10/h6-9H,2-5H2,1H3.
What are the key properties of 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine?
2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine has a molecular weight of 181.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxin-2-yl)-1-ethylpyrrolidine is sourced from PubChem (CID 89043833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).