2-(1-benzofuran-7-yloxymethyl)pyrrolidine

C13H15NO2 — CID 84682714

IUPAC2-(1-benzofuran-7-yloxymethyl)pyrrolidine
SMILESc1cc(OCC2CCCN2)c2occc2c1
InChIInChI=1S/C13H15NO2/c1-3-10-6-8-15-13(10)12(5-1)16-9-11-4-2-7-14-11/h1,3,5-6,8,11,14H,2,4,7,9H2
InChIKeyZXSRSGRYHRERQH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.56
Rot. Bonds3

About 2-(1-benzofuran-7-yloxymethyl)pyrrolidine

2-(1-benzofuran-7-yloxymethyl)pyrrolidine (PubChem CID 84682714) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-benzofuran-7-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-benzofuran-7-yloxymethyl)pyrrolidine
PubChem CID84682714
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(1-benzofuran-7-yloxymethyl)pyrrolidine
SMILESc1cc(OCC2CCCN2)c2occc2c1
InChIInChI=1S/C13H15NO2/c1-3-10-6-8-15-13(10)12(5-1)16-9-11-4-2-7-14-11/h1,3,5-6,8,11,14H,2,4,7,9H2
InChIKeyZXSRSGRYHRERQH-UHFFFAOYSA-N
XLogP2.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-7-yloxymethyl)piperidine
CID 84694616
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
4-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682893
2-bromo-6-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 114887698
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
CID 102820001

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-7-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(1-benzofuran-7-yloxymethyl)pyrrolidine (CID 84682714) is 2-(1-benzofuran-7-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(1-benzofuran-7-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(1-benzofuran-7-yloxymethyl)pyrrolidine is c1cc(OCC2CCCN2)c2occc2c1.
What is the InChIKey of 2-(1-benzofuran-7-yloxymethyl)pyrrolidine?
The InChIKey is ZXSRSGRYHRERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-6-8-15-13(10)12(5-1)16-9-11-4-2-7-14-11/h1,3,5-6,8,11,14H,2,4,7,9H2.
What are the key properties of 2-(1-benzofuran-7-yloxymethyl)pyrrolidine?
2-(1-benzofuran-7-yloxymethyl)pyrrolidine has a molecular weight of 217.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-7-yloxymethyl)pyrrolidine is sourced from PubChem (CID 84682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).