1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine

C14H19NO2 — CID 57194030

IUPAC1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine
SMILESC1=c2occ(OCCN3CCCC3)c2=CCC1
InChIInChI=1S/C14H19NO2/c1-2-6-13-12(5-1)14(11-17-13)16-10-9-15-7-3-4-8-15/h5-6,11H,1-4,7-10H2
InChIKeyALMVFMHITUUWAR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine

1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine (PubChem CID 57194030) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine
PubChem CID57194030
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine
SMILESC1=c2occ(OCCN3CCCC3)c2=CCC1
InChIInChI=1S/C14H19NO2/c1-2-6-13-12(5-1)14(11-17-13)16-10-9-15-7-3-4-8-15/h5-6,11H,1-4,7-10H2
InChIKeyALMVFMHITUUWAR-UHFFFAOYSA-N
XLogP1.11
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine (CID 57194030) is 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine is C1=c2occ(OCCN3CCCC3)c2=CCC1.
What is the InChIKey of 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine?
The InChIKey is ALMVFMHITUUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-13-12(5-1)14(11-17-13)16-10-9-15-7-3-4-8-15/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine?
1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine has a molecular weight of 233.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]pyrrolidine is sourced from PubChem (CID 57194030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).