3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

C12H15NO — CID 82602979

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESc1cc2c(c(C3CCNC3)c1)OCC2
InChIInChI=1S/C12H15NO/c1-2-9-5-7-14-12(9)11(3-1)10-4-6-13-8-10/h1-3,10,13H,4-8H2
InChIKeyJSEFPVCAJPFTJU-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (PubChem CID 82602979) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
PubChem CID82602979
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESc1cc2c(c(C3CCNC3)c1)OCC2
InChIInChI=1S/C12H15NO/c1-2-9-5-7-14-12(9)11(3-1)10-4-6-13-8-10/h1-3,10,13H,4-8H2
InChIKeyJSEFPVCAJPFTJU-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (CID 82602979) is 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is c1cc2c(c(C3CCNC3)c1)OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The InChIKey is JSEFPVCAJPFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9-5-7-14-12(9)11(3-1)10-4-6-13-8-10/h1-3,10,13H,4-8H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine has a molecular weight of 189.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is sourced from PubChem (CID 82602979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).