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

C14H19NO — CID 70961223

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
SMILESc1cc2c(cc1CCN1CCCC1)CCO2
InChIInChI=1S/C14H19NO/c1-2-8-15(7-1)9-5-12-3-4-14-13(11-12)6-10-16-14/h3-4,11H,1-2,5-10H2
InChIKeyFBPJKSAAVDFOEB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds3

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

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine (PubChem CID 70961223) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
PubChem CID70961223
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
SMILESc1cc2c(cc1CCN1CCCC1)CCO2
InChIInChI=1S/C14H19NO/c1-2-8-15(7-1)9-5-12-3-4-14-13(11-12)6-10-16-14/h3-4,11H,1-2,5-10H2
InChIKeyFBPJKSAAVDFOEB-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine (CID 70961223) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine is c1cc2c(cc1CCN1CCCC1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The InChIKey is FBPJKSAAVDFOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-8-15(7-1)9-5-12-3-4-14-13(11-12)6-10-16-14/h3-4,11H,1-2,5-10H2.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine is sourced from PubChem (CID 70961223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).