1-benzofuran-2-yl(pyrrolidin-1-yl)methanone

C13H13NO2 — CID 977385

IUPAC1-benzofuran-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C13H13NO2/c15-13(14-7-3-4-8-14)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyZKWGUCCQYRGCGP-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.67
Rot. Bonds1

About 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone

1-benzofuran-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 977385) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(pyrrolidin-1-yl)methanone
PubChem CID977385
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzofuran-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C13H13NO2/c15-13(14-7-3-4-8-14)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyZKWGUCCQYRGCGP-UHFFFAOYSA-N
XLogP2.67
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone (CID 977385) is 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCCC1.
What is the InChIKey of 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is ZKWGUCCQYRGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(14-7-3-4-8-14)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone?
1-benzofuran-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 977385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).