3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine

C15H19NO2 — CID 116870898

IUPAC3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
SMILESc1cc2c(cc1C1(C3CCNC3)COC1)CCO2
InChIInChI=1S/C15H19NO2/c1-2-14-11(4-6-18-14)7-12(1)15(9-17-10-15)13-3-5-16-8-13/h1-2,7,13,16H,3-6,8-10H2
InChIKeyRYHFDAFHYKRTAA-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.50
Rot. Bonds2

About 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine

3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine (PubChem CID 116870898) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
PubChem CID116870898
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
SMILESc1cc2c(cc1C1(C3CCNC3)COC1)CCO2
InChIInChI=1S/C15H19NO2/c1-2-14-11(4-6-18-14)7-12(1)15(9-17-10-15)13-3-5-16-8-13/h1-2,7,13,16H,3-6,8-10H2
InChIKeyRYHFDAFHYKRTAA-UHFFFAOYSA-N
XLogP1.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine
CID 116870883
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
CID 116856338
3-[3-(3,4-dimethylphenyl)oxetan-3-yl]piperidine
CID 116870954
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
CID 116870870
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
CID 116875895
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine (CID 116870898) is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine is c1cc2c(cc1C1(C3CCNC3)COC1)CCO2.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine?
The InChIKey is RYHFDAFHYKRTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-14-11(4-6-18-14)7-12(1)15(9-17-10-15)13-3-5-16-8-13/h1-2,7,13,16H,3-6,8-10H2.
What are the key properties of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine?
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine has a molecular weight of 245.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine is sourced from PubChem (CID 116870898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).